N-[2-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)ethyl]methanesulfonamide

C17H23N5O2S — CID 58395466

IUPACN-[2-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1nc2cnc3[nH]ccc3c2n1C1CCCCC1
InChIInChI=1S/C17H23N5O2S/c1-25(23,24)20-10-8-15-21-14-11-19-17-13(7-9-18-17)16(14)22(15)12-5-3-2-4-6-12/h7,9,11-12,20H,2-6,8,10H2,1H3,(H,18,19)
InChIKeySAXAFXCYPKPULO-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.51
Rot. Bonds5

About N-[2-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)ethyl]methanesulfonamide

N-[2-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)ethyl]methanesulfonamide (PubChem CID 58395466) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[2-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)ethyl]methanesulfonamide
PubChem CID58395466
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC NameN-[2-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1nc2cnc3[nH]ccc3c2n1C1CCCCC1
InChIInChI=1S/C17H23N5O2S/c1-25(23,24)20-10-8-15-21-14-11-19-17-13(7-9-18-17)16(14)22(15)12-5-3-2-4-6-12/h7,9,11-12,20H,2-6,8,10H2,1H3,(H,18,19)
InChIKeySAXAFXCYPKPULO-UHFFFAOYSA-N
XLogP2.51
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)ethyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)ethyl]methanesulfonamide (CID 58395466) is N-[2-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)ethyl]methanesulfonamide is CS(=O)(=O)NCCc1nc2cnc3[nH]ccc3c2n1C1CCCCC1.
What is the InChIKey of N-[2-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)ethyl]methanesulfonamide?
The InChIKey is SAXAFXCYPKPULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-25(23,24)20-10-8-15-21-14-11-19-17-13(7-9-18-17)16(14)22(15)12-5-3-2-4-6-12/h7,9,11-12,20H,2-6,8,10H2,1H3,(H,18,19).
What are the key properties of N-[2-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)ethyl]methanesulfonamide?
N-[2-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)ethyl]methanesulfonamide has a molecular weight of 361.47 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 58395466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).