N-[5-[(1R)-2-(12-aminododecan-2-ylamino)-1-hydroxyethyl]-2-hydroxyphenyl]formamide;3,5-diamino-6-chloro-N-[N'-[(11S)-11-[[(2R)-2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]dodecyl]carbamimidoyl]pyrazine-2-carboxamide;tris(3,5-diamino-6-chloro-N-[N'-[(11R)-11-[[(2R)-2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]dodecyl]carbamimidoyl]pyrazine-2-carboxamide);N-[2-hydroxy-5-[(1R)-1-hydroxy-2-(tridecan-2-ylamino)ethyl]phenyl]formamide;methane;methyl N-(3,5-diamino-6-chloropyrazine-2-carbonyl)carbamimidothioate;sulfane;hydroiodide

C162H271Cl5IN47O23S2 — CID 159952997

About N-[5-[(1R)-2-(12-aminododecan-2-ylamino)-1-hydroxyethyl]-2-hydroxyphenyl]formamide;3,5-diamino-6-chloro-N-[N'-[(11S)-11-[[(2R)-2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]dodecyl]carbamimidoyl]pyrazine-2-carboxamide;tris(3,5-diamino-6-chloro-N-[N'-[(11R)-11-[[(2R)-2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]dodecyl]carbamimidoyl]pyrazine-2-carboxamide);N-[2-hydroxy-5-[(1R)-1-hydroxy-2-(tridecan-2-ylamino)ethyl]phenyl]formamide;methane;methyl N-(3,5-diamino-6-chloropyrazine-2-carbonyl)carbamimidothioate;sulfane;hydroiodide

N-[5-[(1R)-2-(12-aminododecan-2-ylamino)-1-hydroxyethyl]-2-hydroxyphenyl]formamide;3,5-diamino-6-chloro-N-[N'-[(11S)-11-[[(2R)-2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]dodecyl]carbamimidoyl]pyrazine-2-carboxamide;tris(3,5-diamino-6-chloro-N-[N'-[(11R)-11-[[(2R)-2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]dodecyl]carbamimidoyl]pyrazine-2-carboxamide);N-[2-hydroxy-5-[(1R)-1-hydroxy-2-(tridecan-2-ylamino)ethyl]phenyl]formamide;methane;methyl N-(3,5-diamino-6-chloropyrazine-2-carbonyl)carbamimidothioate;sulfane;hydroiodide (PubChem CID 159952997) has the molecular formula C162H271Cl5IN47O23S2 and a molecular weight of 3613.56 g/mol. Its IUPAC name is N-[5-[(1R)-2-(12-aminododecan-2-ylamino)-1-hydroxyethyl]-2-hydroxyphenyl]formamide;3,5-diamino-6-chloro-N-[N'-[(11S)-11-[[(2R)-2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]dodecyl]carbamimidoyl]pyrazine-2-carboxamide;tris(3,5-diamino-6-chloro-N-[N'-[(11R)-11-[[(2R)-2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]dodecyl]carbamimidoyl]pyrazine-2-carboxamide);N-[2-hydroxy-5-[(1R)-1-hydroxy-2-(tridecan-2-ylamino)ethyl]phenyl]formamide;methane;methyl N-(3,5-diamino-6-chloropyrazine-2-carbonyl)carbamimidothioate;sulfane;hydroiodide.

Molecular Properties

• Compound Name: N-[5-[(1R)-2-(12-aminododecan-2-ylamino)-1-hydroxyethyl]-2-hydroxyphenyl]formamide;3,5-diamino-6-chloro-N-[N'-[(11S)-11-[[(2R)-2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]dodecyl]carbamimidoyl]pyrazine-2-carboxamide;tris(3,5-diamino-6-chloro-N-[N'-[(11R)-11-[[(2R)-2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]dodecyl]carbamimidoyl]pyrazine-2-carboxamide);N-[2-hydroxy-5-[(1R)-1-hydroxy-2-(tridecan-2-ylamino)ethyl]phenyl]formamide;methane;methyl N-(3,5-diamino-6-chloropyrazine-2-carbonyl)carbamimidothioate;sulfane;hydroiodide
• PubChem CID: 159952997
• Molecular Formula: C162H271Cl5IN47O23S2
• Molecular Weight: 3613.56 g/mol
• Exact Mass: 3608.84
• IUPAC Name: N-[5-[(1R)-2-(12-aminododecan-2-ylamino)-1-hydroxyethyl]-2-hydroxyphenyl]formamide;3,5-diamino-6-chloro-N-[N'-[(11S)-11-[[(2R)-2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]dodecyl]carbamimidoyl]pyrazine-2-carboxamide;tris(3,5-diamino-6-chloro-N-[N'-[(11R)-11-[[(2R)-2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]dodecyl]carbamimidoyl]pyrazine-2-carboxamide);N-[2-hydroxy-5-[(1R)-1-hydroxy-2-(tridecan-2-ylamino)ethyl]phenyl]formamide;methane;methyl N-(3,5-diamino-6-chloropyrazine-2-carbonyl)carbamimidothioate;sulfane;hydroiodide
• SMILES: C.C.C.C.CC(CCCCCCCCCCN)NC[C@H](O)c1ccc(O)c(NC=O)c1.CCCCCCCCCCCC(C)NC[C@H](O)c1ccc(O)c(NC=O)c1.C[C@@H](CCCCCCCCCC/N=C(\N)NC(=O)c1nc(Cl)c(N)nc1N)NC[C@H](O)c1ccc(O)c(NC=O)c1.C[C@H](CCCCCCCCCC/N=C(\N)NC(=O)c1nc(Cl)c(N)nc1N)NC[C@H](O)c1ccc(O)c(NC=O)c1.C[C@H](CCCCCCCCCC/N=C(\N)NC(=O)c1nc(Cl)c(N)nc1N)NC[C@H](O)c1ccc(O)c(NC=O)c1.C[C@H](CCCCCCCCCC/N=C(\N)NC(=O)c1nc(Cl)c(N)nc1N)NC[C@H](O)c1ccc(O)c(NC=O)c1.I.S.[H]/N=C(/NC(=O)c1nc(Cl)c(N)nc1N)SC
• InChI: InChI=1S/4C27H42ClN9O4.C22H38N2O3.C21H37N3O3.C7H9ClN6OS.4CH4.HI.H2S/c4*1-17(33-15-21(40)18-11-12-20(39)19(14-18)34-16-38)10-8-6-4-2-3-5-7-9-13-32-27(31)37-26(41)22-24(29)36-25(30)23(28)35-22;1-3-4-5-6-7-8-9-10-11-12-18(2)23-16-22(27)19-13-14-21(26)20(15-19)24-17-25;1-17(10-8-6-4-2-3-5-7-9-13-22)23-15-21(27)18-11-12-20(26)19(14-18)24-16-25;1-16-7(11)14-6(15)2-4(9)13-5(10)3(8)12-2;;;;;;/h4*11-12,14,16-17,21,33,39-40H,2-10,13,15H2,1H3,(H,34,38)(H4,29,30,36)(H3,31,32,37,41);13-15,17-18,22-23,26-27H,3-12,16H2,1-2H3,(H,24,25);11-12,14,16-17,21,23,26-27H,2-10,13,15,22H2,1H3,(H,24,25);1H3,(H4,9,10,13)(H2,11,14,15);4*1H4;1H;1H2/t3*17-,21+;17-,21-;18?,22-;17?,21-;;;;;;;/m111000......./s1
• InChIKey: HOQPRYRVRDQSCV-PLOJAVCMSA-N
• XLogP: 23.27
• TPSA: 1227.53 Ų
• H-Bond Donors: 45
• H-Bond Acceptors: 56
• Rotatable Bonds: 105
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3613.56
LogP ≤ 5	23.27
H-Bond Donors ≤ 5	45
H-Bond Acceptors ≤ 10	56

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1R)-2-(12-aminododecan-2-ylamino)-1-hydroxyethyl]-2-hydroxyphenyl]formamide;3,5-diamino-6-chloro-N-[N'-[(11S)-11-[[(2R)-2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]dodecyl]carbamimidoyl]pyrazine-2-carboxamide;tris(3,5-diamino-6-chloro-N-[N'-[(11R)-11-[[(2R)-2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]dodecyl]carbamimidoyl]pyrazine-2-carboxamide);N-[2-hydroxy-5-[(1R)-1-hydroxy-2-(tridecan-2-ylamino)ethyl]phenyl]formamide;methane;methyl N-(3,5-diamino-6-chloropyrazine-2-carbonyl)carbamimidothioate;sulfane;hydroiodide?

The IUPAC name of N-[5-[(1R)-2-(12-aminododecan-2-ylamino)-1-hydroxyethyl]-2-hydroxyphenyl]formamide;3,5-diamino-6-chloro-N-[N'-[(11S)-11-[[(2R)-2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]dodecyl]carbamimidoyl]pyrazine-2-carboxamide;tris(3,5-diamino-6-chloro-N-[N'-[(11R)-11-[[(2R)-2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]dodecyl]carbamimidoyl]pyrazine-2-carboxamide);N-[2-hydroxy-5-[(1R)-1-hydroxy-2-(tridecan-2-ylamino)ethyl]phenyl]formamide;methane;methyl N-(3,5-diamino-6-chloropyrazine-2-carbonyl)carbamimidothioate;sulfane;hydroiodide (CID 159952997) is N-[5-[(1R)-2-(12-aminododecan-2-ylamino)-1-hydroxyethyl]-2-hydroxyphenyl]formamide;3,5-diamino-6-chloro-N-[N'-[(11S)-11-[[(2R)-2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]dodecyl]carbamimidoyl]pyrazine-2-carboxamide;tris(3,5-diamino-6-chloro-N-[N'-[(11R)-11-[[(2R)-2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]dodecyl]carbamimidoyl]pyrazine-2-carboxamide);N-[2-hydroxy-5-[(1R)-1-hydroxy-2-(tridecan-2-ylamino)ethyl]phenyl]formamide;methane;methyl N-(3,5-diamino-6-chloropyrazine-2-carbonyl)carbamimidothioate;sulfane;hydroiodide.

What is the SMILES notation for N-[5-[(1R)-2-(12-aminododecan-2-ylamino)-1-hydroxyethyl]-2-hydroxyphenyl]formamide;3,5-diamino-6-chloro-N-[N'-[(11S)-11-[[(2R)-2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]dodecyl]carbamimidoyl]pyrazine-2-carboxamide;tris(3,5-diamino-6-chloro-N-[N'-[(11R)-11-[[(2R)-2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]dodecyl]carbamimidoyl]pyrazine-2-carboxamide);N-[2-hydroxy-5-[(1R)-1-hydroxy-2-(tridecan-2-ylamino)ethyl]phenyl]formamide;methane;methyl N-(3,5-diamino-6-chloropyrazine-2-carbonyl)carbamimidothioate;sulfane;hydroiodide?

The canonical SMILES for N-[5-[(1R)-2-(12-aminododecan-2-ylamino)-1-hydroxyethyl]-2-hydroxyphenyl]formamide;3,5-diamino-6-chloro-N-[N'-[(11S)-11-[[(2R)-2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]dodecyl]carbamimidoyl]pyrazine-2-carboxamide;tris(3,5-diamino-6-chloro-N-[N'-[(11R)-11-[[(2R)-2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]dodecyl]carbamimidoyl]pyrazine-2-carboxamide);N-[2-hydroxy-5-[(1R)-1-hydroxy-2-(tridecan-2-ylamino)ethyl]phenyl]formamide;methane;methyl N-(3,5-diamino-6-chloropyrazine-2-carbonyl)carbamimidothioate;sulfane;hydroiodide is C.C.C.C.CC(CCCCCCCCCCN)NC[C@H](O)c1ccc(O)c(NC=O)c1.CCCCCCCCCCCC(C)NC[C@H](O)c1ccc(O)c(NC=O)c1.C[C@@H](CCCCCCCCCC/N=C(\N)NC(=O)c1nc(Cl)c(N)nc1N)NC[C@H](O)c1ccc(O)c(NC=O)c1.C[C@H](CCCCCCCCCC/N=C(\N)NC(=O)c1nc(Cl)c(N)nc1N)NC[C@H](O)c1ccc(O)c(NC=O)c1.C[C@H](CCCCCCCCCC/N=C(\N)NC(=O)c1nc(Cl)c(N)nc1N)NC[C@H](O)c1ccc(O)c(NC=O)c1.C[C@H](CCCCCCCCCC/N=C(\N)NC(=O)c1nc(Cl)c(N)nc1N)NC[C@H](O)c1ccc(O)c(NC=O)c1.I.S.[H]/N=C(/NC(=O)c1nc(Cl)c(N)nc1N)SC.

What is the InChIKey of N-[5-[(1R)-2-(12-aminododecan-2-ylamino)-1-hydroxyethyl]-2-hydroxyphenyl]formamide;3,5-diamino-6-chloro-N-[N'-[(11S)-11-[[(2R)-2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]dodecyl]carbamimidoyl]pyrazine-2-carboxamide;tris(3,5-diamino-6-chloro-N-[N'-[(11R)-11-[[(2R)-2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]dodecyl]carbamimidoyl]pyrazine-2-carboxamide);N-[2-hydroxy-5-[(1R)-1-hydroxy-2-(tridecan-2-ylamino)ethyl]phenyl]formamide;methane;methyl N-(3,5-diamino-6-chloropyrazine-2-carbonyl)carbamimidothioate;sulfane;hydroiodide?

The InChIKey is HOQPRYRVRDQSCV-PLOJAVCMSA-N. The full InChI is InChI=1S/4C27H42ClN9O4.C22H38N2O3.C21H37N3O3.C7H9ClN6OS.4CH4.HI.H2S/c4*1-17(33-15-21(40)18-11-12-20(39)19(14-18)34-16-38)10-8-6-4-2-3-5-7-9-13-32-27(31)37-26(41)22-24(29)36-25(30)23(28)35-22;1-3-4-5-6-7-8-9-10-11-12-18(2)23-16-22(27)19-13-14-21(26)20(15-19)24-17-25;1-17(10-8-6-4-2-3-5-7-9-13-22)23-15-21(27)18-11-12-20(26)19(14-18)24-16-25;1-16-7(11)14-6(15)2-4(9)13-5(10)3(8)12-2;;;;;;/h4*11-12,14,16-17,21,33,39-40H,2-10,13,15H2,1H3,(H,34,38)(H4,29,30,36)(H3,31,32,37,41);13-15,17-18,22-23,26-27H,3-12,16H2,1-2H3,(H,24,25);11-12,14,16-17,21,23,26-27H,2-10,13,15,22H2,1H3,(H,24,25);1H3,(H4,9,10,13)(H2,11,14,15);4*1H4;1H;1H2/t3*17-,21+;17-,21-;18?,22-;17?,21-;;;;;;;/m111000......./s1.

What are the key properties of N-[5-[(1R)-2-(12-aminododecan-2-ylamino)-1-hydroxyethyl]-2-hydroxyphenyl]formamide;3,5-diamino-6-chloro-N-[N'-[(11S)-11-[[(2R)-2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]dodecyl]carbamimidoyl]pyrazine-2-carboxamide;tris(3,5-diamino-6-chloro-N-[N'-[(11R)-11-[[(2R)-2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]dodecyl]carbamimidoyl]pyrazine-2-carboxamide);N-[2-hydroxy-5-[(1R)-1-hydroxy-2-(tridecan-2-ylamino)ethyl]phenyl]formamide;methane;methyl N-(3,5-diamino-6-chloropyrazine-2-carbonyl)carbamimidothioate;sulfane;hydroiodide?

N-[5-[(1R)-2-(12-aminododecan-2-ylamino)-1-hydroxyethyl]-2-hydroxyphenyl]formamide;3,5-diamino-6-chloro-N-[N'-[(11S)-11-[[(2R)-2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]dodecyl]carbamimidoyl]pyrazine-2-carboxamide;tris(3,5-diamino-6-chloro-N-[N'-[(11R)-11-[[(2R)-2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]dodecyl]carbamimidoyl]pyrazine-2-carboxamide);N-[2-hydroxy-5-[(1R)-1-hydroxy-2-(tridecan-2-ylamino)ethyl]phenyl]formamide;methane;methyl N-(3,5-diamino-6-chloropyrazine-2-carbonyl)carbamimidothioate;sulfane;hydroiodide has a molecular weight of 3613.56 g/mol, XLogP of 23.27, 105 rotatable bonds, 45 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(1R)-2-(12-aminododecan-2-ylamino)-1-hydroxyethyl]-2-hydroxyphenyl]formamide;3,5-diamino-6-chloro-N-[N'-[(11S)-11-[[(2R)-2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]dodecyl]carbamimidoyl]pyrazine-2-carboxamide;tris(3,5-diamino-6-chloro-N-[N'-[(11R)-11-[[(2R)-2-(3-formamido-4-hydroxyphenyl)-2-hydroxyethyl]amino]dodecyl]carbamimidoyl]pyrazine-2-carboxamide);N-[2-hydroxy-5-[(1R)-1-hydroxy-2-(tridecan-2-ylamino)ethyl]phenyl]formamide;methane;methyl N-(3,5-diamino-6-chloropyrazine-2-carbonyl)carbamimidothioate;sulfane;hydroiodide is sourced from PubChem (CID 159952997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).