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

C15H15N7O2S — CID 137024719

IUPAC1-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
SMILESN#CCS(=O)(=O)NC1CCN(c2[nH]ncc3cnc4nccc4c23)C1
InChIInChI=1S/C15H15N7O2S/c16-3-6-25(23,24)21-11-2-5-22(9-11)15-13-10(8-19-20-15)7-18-14-12(13)1-4-17-14/h1,4,7-8,11,20-21H,2,5-6,9H2
InChIKeyMKVSPIBEAYAFJH-UHFFFAOYSA-N
MW357.40 g/mol
LogP0.53
Rot. Bonds4

About 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

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 (PubChem CID 137024719) has the molecular formula C15H15N7O2S and a molecular weight of 357.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID137024719
Molecular FormulaC15H15N7O2S
Molecular Weight357.40 g/mol
Exact Mass357.10
IUPAC Name1-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
SMILESN#CCS(=O)(=O)NC1CCN(c2[nH]ncc3cnc4nccc4c23)C1
InChIInChI=1S/C15H15N7O2S/c16-3-6-25(23,24)21-11-2-5-22(9-11)15-13-10(8-19-20-15)7-18-14-12(13)1-4-17-14/h1,4,7-8,11,20-21H,2,5-6,9H2
InChIKeyMKVSPIBEAYAFJH-UHFFFAOYSA-N
XLogP0.53
TPSA127.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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
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-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]methanesulfonamide
CID 123551195
[1-(5,7,11,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,10-hexaen-13-yl)piperidin-3-yl] N-propan-2-ylcarbamate
CID 137211001
methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]boronamidic acid
CID 136610775
[3-(5,7,11,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,10-hexaen-13-yl)piperidin-1-yl] N-ethylcarbamate
CID 137210999
1-(5,7,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,10-hexaen-13-yl)-N-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide
CID 140686246
2,2,2-trifluoro-N-[1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)pyrrolidin-3-yl]ethanesulfonamide
CID 123226752
2-[3-[4-methyl-3-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-1-yl]prop-2-enylsulfonyl]acetonitrile
CID 174702390
N-[1-[2-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-4-yl]acetyl]piperidin-3-yl]methanesulfonamide
CID 137211045
N-[1-[2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperazin-1-yl]acetyl]piperidin-3-yl]methanesulfonamide
CID 137210975

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#CCS(=O)(=O)NC1CCN(c2[nH]ncc3cnc4nccc4c23)C1.
What is the InChIKey of 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?
The InChIKey is MKVSPIBEAYAFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O2S/c16-3-6-25(23,24)21-11-2-5-22(9-11)15-13-10(8-19-20-15)7-18-14-12(13)1-4-17-14/h1,4,7-8,11,20-21H,2,5-6,9H2.
What are the key properties of 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?
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 has a molecular weight of 357.40 g/mol, XLogP of 0.53, 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-(5,7,11,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,10-hexaen-13-yl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 137024719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).