1-cyano-N-[1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-yl]methanesulfonamide

C16H17N7O2S — CID 137124785

IUPAC1-cyano-N-[1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-yl]methanesulfonamide
SMILESN#CCS(=O)(=O)NC1CCCN(c2cn[nH]c3cnc4nccc4c23)C1
InChIInChI=1S/C16H17N7O2S/c17-4-7-26(24,25)22-11-2-1-6-23(10-11)14-9-20-21-13-8-19-16-12(15(13)14)3-5-18-16/h3,5,8-9,11,21-22H,1-2,6-7,10H2
InChIKeyMKBYNJVAEAPQGD-UHFFFAOYSA-N
MW371.43 g/mol
LogP0.92
Rot. Bonds4

About 1-cyano-N-[1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-yl]methanesulfonamide

1-cyano-N-[1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-yl]methanesulfonamide (PubChem CID 137124785) has the molecular formula C16H17N7O2S and a molecular weight of 371.43 g/mol. Its IUPAC name is 1-cyano-N-[1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-[1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-yl]methanesulfonamide
PubChem CID137124785
Molecular FormulaC16H17N7O2S
Molecular Weight371.43 g/mol
Exact Mass371.12
IUPAC Name1-cyano-N-[1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-yl]methanesulfonamide
SMILESN#CCS(=O)(=O)NC1CCCN(c2cn[nH]c3cnc4nccc4c23)C1
InChIInChI=1S/C16H17N7O2S/c17-4-7-26(24,25)22-11-2-1-6-23(10-11)14-9-20-21-13-8-19-16-12(15(13)14)3-5-18-16/h3,5,8-9,11,21-22H,1-2,6-7,10H2
InChIKeyMKBYNJVAEAPQGD-UHFFFAOYSA-N
XLogP0.92
TPSA127.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-cyano-N-[1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-yl]methanesulfonamide with MolForge

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Related Compounds

1-cyano-N-[6-methyl-1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-yl]methanesulfonamide
CID 137076863
1-cyano-N-[1-(5,7,11,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,10-hexaen-13-yl)pyrrolidin-3-yl]methanesulfonamide
CID 137024719
1-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]methanesulfonamide
CID 123551195
2,2,2-trifluoro-N-[1-(5,7,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,10-hexaen-13-yl)piperidin-3-yl]ethanesulfonamide
CID 140686243
1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 137153844
N-[1-[2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperazin-1-yl]acetyl]piperidin-3-yl]methanesulfonamide
CID 137210975
N-[1-[2-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-4-yl]acetyl]piperidin-3-yl]methanesulfonamide
CID 137211045
1-(5,7,8,10,11-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 140686244
methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]boronamidic acid
CID 136610775
6-methyl-1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 137158623
N-[1-(2-fluorophenyl)piperidin-3-yl]-1H-indazol-5-amine
CID 143370381
N-(1-quinolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide
CID 155800764

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of 1-cyano-N-[1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-yl]methanesulfonamide (CID 137124785) is 1-cyano-N-[1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for 1-cyano-N-[1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for 1-cyano-N-[1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-yl]methanesulfonamide is N#CCS(=O)(=O)NC1CCCN(c2cn[nH]c3cnc4nccc4c23)C1.
What is the InChIKey of 1-cyano-N-[1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-yl]methanesulfonamide?
The InChIKey is MKBYNJVAEAPQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O2S/c17-4-7-26(24,25)22-11-2-1-6-23(10-11)14-9-20-21-13-8-19-16-12(15(13)14)3-5-18-16/h3,5,8-9,11,21-22H,1-2,6-7,10H2.
What are the key properties of 1-cyano-N-[1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-yl]methanesulfonamide?
1-cyano-N-[1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-yl]methanesulfonamide has a molecular weight of 371.43 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 137124785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).