tert-butyl 4-amino-4-prop-2-enylpiperidine-1-carboxylate;tert-butyl 4-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]-4-prop-2-enylpiperidine-1-carboxylate;1-(1H-indol-3-ylmethyl)-9-(6-methylpyrazin-2-yl)-1,9-diazaspiro[5.5]undecan-2-one;methane;1-(4-methylphenyl)sulfonylindole-3-carbaldehyde

C83H106N10O10S2 — CID 159986277

About tert-butyl 4-amino-4-prop-2-enylpiperidine-1-carboxylate;tert-butyl 4-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]-4-prop-2-enylpiperidine-1-carboxylate;1-(1H-indol-3-ylmethyl)-9-(6-methylpyrazin-2-yl)-1,9-diazaspiro[5.5]undecan-2-one;methane;1-(4-methylphenyl)sulfonylindole-3-carbaldehyde

tert-butyl 4-amino-4-prop-2-enylpiperidine-1-carboxylate;tert-butyl 4-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]-4-prop-2-enylpiperidine-1-carboxylate;1-(1H-indol-3-ylmethyl)-9-(6-methylpyrazin-2-yl)-1,9-diazaspiro[5.5]undecan-2-one;methane;1-(4-methylphenyl)sulfonylindole-3-carbaldehyde (PubChem CID 159986277) has the molecular formula C83H106N10O10S2 and a molecular weight of 1467.95 g/mol. Its IUPAC name is tert-butyl 4-amino-4-prop-2-enylpiperidine-1-carboxylate;tert-butyl 4-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]-4-prop-2-enylpiperidine-1-carboxylate;1-(1H-indol-3-ylmethyl)-9-(6-methylpyrazin-2-yl)-1,9-diazaspiro[5.5]undecan-2-one;methane;1-(4-methylphenyl)sulfonylindole-3-carbaldehyde.

Molecular Properties

• Compound Name: tert-butyl 4-amino-4-prop-2-enylpiperidine-1-carboxylate;tert-butyl 4-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]-4-prop-2-enylpiperidine-1-carboxylate;1-(1H-indol-3-ylmethyl)-9-(6-methylpyrazin-2-yl)-1,9-diazaspiro[5.5]undecan-2-one;methane;1-(4-methylphenyl)sulfonylindole-3-carbaldehyde
• PubChem CID: 159986277
• Molecular Formula: C83H106N10O10S2
• Molecular Weight: 1467.95 g/mol
• Exact Mass: 1466.75
• IUPAC Name: tert-butyl 4-amino-4-prop-2-enylpiperidine-1-carboxylate;tert-butyl 4-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]-4-prop-2-enylpiperidine-1-carboxylate;1-(1H-indol-3-ylmethyl)-9-(6-methylpyrazin-2-yl)-1,9-diazaspiro[5.5]undecan-2-one;methane;1-(4-methylphenyl)sulfonylindole-3-carbaldehyde
• SMILES: C.C=CCC1(CCc2cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc23)CCN(C(=O)OC(C)(C)C)CC1.C=CCC1(N)CCN(C(=O)OC(C)(C)C)CC1.Cc1ccc(S(=O)(=O)n2cc(C=O)c3ccccc32)cc1.Cc1cncc(N2CCC3(CCCC(=O)N3Cc3c[nH]c4ccccc34)CC2)n1
• InChI: InChI=1S/C30H38N2O4S.C23H27N5O.C16H13NO3S.C13H24N2O2.CH4/c1-6-16-30(18-20-31(21-19-30)28(33)36-29(3,4)5)17-15-24-22-32(27-10-8-7-9-26(24)27)37(34,35)25-13-11-23(2)12-14-25;1-17-13-24-15-21(26-17)27-11-9-23(10-12-27)8-4-7-22(29)28(23)16-18-14-25-20-6-3-2-5-19(18)20;1-12-6-8-14(9-7-12)21(19,20)17-10-13(11-18)15-4-2-3-5-16(15)17;1-5-6-13(14)7-9-15(10-8-13)11(16)17-12(2,3)4;/h6-14,22H,1,15-21H2,2-5H3;2-3,5-6,13-15,25H,4,7-12,16H2,1H3;2-11H,1H3;5H,1,6-10,14H2,2-4H3;1H4
• InChIKey: OGJKLKPAMJNJIK-UHFFFAOYSA-N
• XLogP: 16.46
• TPSA: 245.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1467.95
LogP ≤ 5	16.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-amino-4-prop-2-enylpiperidine-1-carboxylate;tert-butyl 4-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]-4-prop-2-enylpiperidine-1-carboxylate;1-(1H-indol-3-ylmethyl)-9-(6-methylpyrazin-2-yl)-1,9-diazaspiro[5.5]undecan-2-one;methane;1-(4-methylphenyl)sulfonylindole-3-carbaldehyde?

The IUPAC name of tert-butyl 4-amino-4-prop-2-enylpiperidine-1-carboxylate;tert-butyl 4-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]-4-prop-2-enylpiperidine-1-carboxylate;1-(1H-indol-3-ylmethyl)-9-(6-methylpyrazin-2-yl)-1,9-diazaspiro[5.5]undecan-2-one;methane;1-(4-methylphenyl)sulfonylindole-3-carbaldehyde (CID 159986277) is tert-butyl 4-amino-4-prop-2-enylpiperidine-1-carboxylate;tert-butyl 4-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]-4-prop-2-enylpiperidine-1-carboxylate;1-(1H-indol-3-ylmethyl)-9-(6-methylpyrazin-2-yl)-1,9-diazaspiro[5.5]undecan-2-one;methane;1-(4-methylphenyl)sulfonylindole-3-carbaldehyde.

What is the SMILES notation for tert-butyl 4-amino-4-prop-2-enylpiperidine-1-carboxylate;tert-butyl 4-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]-4-prop-2-enylpiperidine-1-carboxylate;1-(1H-indol-3-ylmethyl)-9-(6-methylpyrazin-2-yl)-1,9-diazaspiro[5.5]undecan-2-one;methane;1-(4-methylphenyl)sulfonylindole-3-carbaldehyde?

The canonical SMILES for tert-butyl 4-amino-4-prop-2-enylpiperidine-1-carboxylate;tert-butyl 4-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]-4-prop-2-enylpiperidine-1-carboxylate;1-(1H-indol-3-ylmethyl)-9-(6-methylpyrazin-2-yl)-1,9-diazaspiro[5.5]undecan-2-one;methane;1-(4-methylphenyl)sulfonylindole-3-carbaldehyde is C.C=CCC1(CCc2cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc23)CCN(C(=O)OC(C)(C)C)CC1.C=CCC1(N)CCN(C(=O)OC(C)(C)C)CC1.Cc1ccc(S(=O)(=O)n2cc(C=O)c3ccccc32)cc1.Cc1cncc(N2CCC3(CCCC(=O)N3Cc3c[nH]c4ccccc34)CC2)n1.

What is the InChIKey of tert-butyl 4-amino-4-prop-2-enylpiperidine-1-carboxylate;tert-butyl 4-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]-4-prop-2-enylpiperidine-1-carboxylate;1-(1H-indol-3-ylmethyl)-9-(6-methylpyrazin-2-yl)-1,9-diazaspiro[5.5]undecan-2-one;methane;1-(4-methylphenyl)sulfonylindole-3-carbaldehyde?

The InChIKey is OGJKLKPAMJNJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O4S.C23H27N5O.C16H13NO3S.C13H24N2O2.CH4/c1-6-16-30(18-20-31(21-19-30)28(33)36-29(3,4)5)17-15-24-22-32(27-10-8-7-9-26(24)27)37(34,35)25-13-11-23(2)12-14-25;1-17-13-24-15-21(26-17)27-11-9-23(10-12-27)8-4-7-22(29)28(23)16-18-14-25-20-6-3-2-5-19(18)20;1-12-6-8-14(9-7-12)21(19,20)17-10-13(11-18)15-4-2-3-5-16(15)17;1-5-6-13(14)7-9-15(10-8-13)11(16)17-12(2,3)4;/h6-14,22H,1,15-21H2,2-5H3;2-3,5-6,13-15,25H,4,7-12,16H2,1H3;2-11H,1H3;5H,1,6-10,14H2,2-4H3;1H4.

What are the key properties of tert-butyl 4-amino-4-prop-2-enylpiperidine-1-carboxylate;tert-butyl 4-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]-4-prop-2-enylpiperidine-1-carboxylate;1-(1H-indol-3-ylmethyl)-9-(6-methylpyrazin-2-yl)-1,9-diazaspiro[5.5]undecan-2-one;methane;1-(4-methylphenyl)sulfonylindole-3-carbaldehyde?

tert-butyl 4-amino-4-prop-2-enylpiperidine-1-carboxylate;tert-butyl 4-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]-4-prop-2-enylpiperidine-1-carboxylate;1-(1H-indol-3-ylmethyl)-9-(6-methylpyrazin-2-yl)-1,9-diazaspiro[5.5]undecan-2-one;methane;1-(4-methylphenyl)sulfonylindole-3-carbaldehyde has a molecular weight of 1467.95 g/mol, XLogP of 16.46, 15 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-amino-4-prop-2-enylpiperidine-1-carboxylate;tert-butyl 4-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethyl]-4-prop-2-enylpiperidine-1-carboxylate;1-(1H-indol-3-ylmethyl)-9-(6-methylpyrazin-2-yl)-1,9-diazaspiro[5.5]undecan-2-one;methane;1-(4-methylphenyl)sulfonylindole-3-carbaldehyde is sourced from PubChem (CID 159986277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).