tert-butyl (3S)-3-aminopiperidine-1-carboxylate;bis(tert-butyl (3S)-3-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]piperidine-1-carboxylate);N-methyl-4-[(2-methylsulfinyl-1,3-benzothiazol-6-yl)oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide;bis(N-methyl-4-[[2-[[(3S)-piperidin-3-yl]amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide);methylsulfonyl methanesulfonate

C133H162N30O26S10 — CID 157154892

About tert-butyl (3S)-3-aminopiperidine-1-carboxylate;bis(tert-butyl (3S)-3-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]piperidine-1-carboxylate);N-methyl-4-[(2-methylsulfinyl-1,3-benzothiazol-6-yl)oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide;bis(N-methyl-4-[[2-[[(3S)-piperidin-3-yl]amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide);methylsulfonyl methanesulfonate

tert-butyl (3S)-3-aminopiperidine-1-carboxylate;bis(tert-butyl (3S)-3-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]piperidine-1-carboxylate);N-methyl-4-[(2-methylsulfinyl-1,3-benzothiazol-6-yl)oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide;bis(N-methyl-4-[[2-[[(3S)-piperidin-3-yl]amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide);methylsulfonyl methanesulfonate (PubChem CID 157154892) has the molecular formula C133H162N30O26S10 and a molecular weight of 2917.61 g/mol. Its IUPAC name is tert-butyl (3S)-3-aminopiperidine-1-carboxylate;bis(tert-butyl (3S)-3-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]piperidine-1-carboxylate);N-methyl-4-[(2-methylsulfinyl-1,3-benzothiazol-6-yl)oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide;bis(N-methyl-4-[[2-[[(3S)-piperidin-3-yl]amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide);methylsulfonyl methanesulfonate.

Molecular Properties

• Compound Name: tert-butyl (3S)-3-aminopiperidine-1-carboxylate;bis(tert-butyl (3S)-3-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]piperidine-1-carboxylate);N-methyl-4-[(2-methylsulfinyl-1,3-benzothiazol-6-yl)oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide;bis(N-methyl-4-[[2-[[(3S)-piperidin-3-yl]amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide);methylsulfonyl methanesulfonate
• PubChem CID: 157154892
• Molecular Formula: C133H162N30O26S10
• Molecular Weight: 2917.61 g/mol
• Exact Mass: 2914.95
• IUPAC Name: tert-butyl (3S)-3-aminopiperidine-1-carboxylate;bis(tert-butyl (3S)-3-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]piperidine-1-carboxylate);N-methyl-4-[(2-methylsulfinyl-1,3-benzothiazol-6-yl)oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide;bis(N-methyl-4-[[2-[[(3S)-piperidin-3-yl]amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide);methylsulfonyl methanesulfonate
• SMILES: CC(C)(C)OC(=O)N1CCC[C@H](N)C1.CNC(=O)c1cc(Oc2ccc3nc(N[C@H]4CCCN(C(=O)OC(C)(C)C)C4)sc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(N[C@H]4CCCN(C(=O)OC(C)(C)C)C4)sc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(N[C@H]4CCCN(S(C)(=O)=O)C4)sc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(N[C@H]4CCCNC4)sc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(N[C@H]4CCCNC4)sc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(S(C)=O)sc3c2)ccn1.CS(=O)(=O)OS(C)(=O)=O
• InChI: InChI=1S/2C24H29N5O4S.C20H23N5O4S2.2C19H21N5O2S.C15H13N3O3S2.C10H20N2O2.C2H6O5S2/c2*1-24(2,3)33-23(31)29-11-5-6-15(14-29)27-22-28-18-8-7-16(13-20(18)34-22)32-17-9-10-26-19(12-17)21(30)25-4;1-21-19(26)17-10-15(7-8-22-17)29-14-5-6-16-18(11-14)30-20(24-16)23-13-4-3-9-25(12-13)31(2,27)28;2*1-20-18(25)16-9-14(6-8-22-16)26-13-4-5-15-17(10-13)27-19(24-15)23-12-3-2-7-21-11-12;1-16-14(19)12-7-10(5-6-17-12)21-9-3-4-11-13(8-9)22-15(18-11)23(2)20;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;1-8(3,4)7-9(2,5)6/h2*7-10,12-13,15H,5-6,11,14H2,1-4H3,(H,25,30)(H,27,28);5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,21,26)(H,23,24);2*4-6,8-10,12,21H,2-3,7,11H2,1H3,(H,20,25)(H,23,24);3-8H,1-2H3,(H,16,19);8H,4-7,11H2,1-3H3;1-2H3/t2*15-;13-;2*12-;;8-;/m00000.0./s1
• InChIKey: ALRPYPLZJCDYNH-IEEDAFSISA-N
• XLogP: 20.85
• TPSA: 715.47 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 52
• Rotatable Bonds: 32
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2917.61
LogP ≤ 5	20.85
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-aminopiperidine-1-carboxylate;bis(tert-butyl (3S)-3-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]piperidine-1-carboxylate);N-methyl-4-[(2-methylsulfinyl-1,3-benzothiazol-6-yl)oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide;bis(N-methyl-4-[[2-[[(3S)-piperidin-3-yl]amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide);methylsulfonyl methanesulfonate?

The IUPAC name of tert-butyl (3S)-3-aminopiperidine-1-carboxylate;bis(tert-butyl (3S)-3-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]piperidine-1-carboxylate);N-methyl-4-[(2-methylsulfinyl-1,3-benzothiazol-6-yl)oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide;bis(N-methyl-4-[[2-[[(3S)-piperidin-3-yl]amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide);methylsulfonyl methanesulfonate (CID 157154892) is tert-butyl (3S)-3-aminopiperidine-1-carboxylate;bis(tert-butyl (3S)-3-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]piperidine-1-carboxylate);N-methyl-4-[(2-methylsulfinyl-1,3-benzothiazol-6-yl)oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide;bis(N-methyl-4-[[2-[[(3S)-piperidin-3-yl]amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide);methylsulfonyl methanesulfonate.

What is the SMILES notation for tert-butyl (3S)-3-aminopiperidine-1-carboxylate;bis(tert-butyl (3S)-3-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]piperidine-1-carboxylate);N-methyl-4-[(2-methylsulfinyl-1,3-benzothiazol-6-yl)oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide;bis(N-methyl-4-[[2-[[(3S)-piperidin-3-yl]amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide);methylsulfonyl methanesulfonate?

The canonical SMILES for tert-butyl (3S)-3-aminopiperidine-1-carboxylate;bis(tert-butyl (3S)-3-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]piperidine-1-carboxylate);N-methyl-4-[(2-methylsulfinyl-1,3-benzothiazol-6-yl)oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide;bis(N-methyl-4-[[2-[[(3S)-piperidin-3-yl]amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide);methylsulfonyl methanesulfonate is CC(C)(C)OC(=O)N1CCC[C@H](N)C1.CNC(=O)c1cc(Oc2ccc3nc(N[C@H]4CCCN(C(=O)OC(C)(C)C)C4)sc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(N[C@H]4CCCN(C(=O)OC(C)(C)C)C4)sc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(N[C@H]4CCCN(S(C)(=O)=O)C4)sc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(N[C@H]4CCCNC4)sc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(N[C@H]4CCCNC4)sc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(S(C)=O)sc3c2)ccn1.CS(=O)(=O)OS(C)(=O)=O.

What is the InChIKey of tert-butyl (3S)-3-aminopiperidine-1-carboxylate;bis(tert-butyl (3S)-3-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]piperidine-1-carboxylate);N-methyl-4-[(2-methylsulfinyl-1,3-benzothiazol-6-yl)oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide;bis(N-methyl-4-[[2-[[(3S)-piperidin-3-yl]amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide);methylsulfonyl methanesulfonate?

The InChIKey is ALRPYPLZJCDYNH-IEEDAFSISA-N. The full InChI is InChI=1S/2C24H29N5O4S.C20H23N5O4S2.2C19H21N5O2S.C15H13N3O3S2.C10H20N2O2.C2H6O5S2/c2*1-24(2,3)33-23(31)29-11-5-6-15(14-29)27-22-28-18-8-7-16(13-20(18)34-22)32-17-9-10-26-19(12-17)21(30)25-4;1-21-19(26)17-10-15(7-8-22-17)29-14-5-6-16-18(11-14)30-20(24-16)23-13-4-3-9-25(12-13)31(2,27)28;2*1-20-18(25)16-9-14(6-8-22-16)26-13-4-5-15-17(10-13)27-19(24-15)23-12-3-2-7-21-11-12;1-16-14(19)12-7-10(5-6-17-12)21-9-3-4-11-13(8-9)22-15(18-11)23(2)20;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;1-8(3,4)7-9(2,5)6/h2*7-10,12-13,15H,5-6,11,14H2,1-4H3,(H,25,30)(H,27,28);5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,21,26)(H,23,24);2*4-6,8-10,12,21H,2-3,7,11H2,1H3,(H,20,25)(H,23,24);3-8H,1-2H3,(H,16,19);8H,4-7,11H2,1-3H3;1-2H3/t2*15-;13-;2*12-;;8-;/m00000.0./s1.

What are the key properties of tert-butyl (3S)-3-aminopiperidine-1-carboxylate;bis(tert-butyl (3S)-3-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]piperidine-1-carboxylate);N-methyl-4-[(2-methylsulfinyl-1,3-benzothiazol-6-yl)oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide;bis(N-methyl-4-[[2-[[(3S)-piperidin-3-yl]amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide);methylsulfonyl methanesulfonate?

tert-butyl (3S)-3-aminopiperidine-1-carboxylate;bis(tert-butyl (3S)-3-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]piperidine-1-carboxylate);N-methyl-4-[(2-methylsulfinyl-1,3-benzothiazol-6-yl)oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide;bis(N-methyl-4-[[2-[[(3S)-piperidin-3-yl]amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide);methylsulfonyl methanesulfonate has a molecular weight of 2917.61 g/mol, XLogP of 20.85, 32 rotatable bonds, 14 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3S)-3-aminopiperidine-1-carboxylate;bis(tert-butyl (3S)-3-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-yl]amino]piperidine-1-carboxylate);N-methyl-4-[(2-methylsulfinyl-1,3-benzothiazol-6-yl)oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide;bis(N-methyl-4-[[2-[[(3S)-piperidin-3-yl]amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide);methylsulfonyl methanesulfonate is sourced from PubChem (CID 157154892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).