N-(6-cyclohexylsulfanyl-1-oxo-2,3-dihydroinden-5-yl)methanesulfonamide

C16H21NO3S2 — CID 10807025

IUPACN-(6-cyclohexylsulfanyl-1-oxo-2,3-dihydroinden-5-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc2c(cc1SC1CCCCC1)C(=O)CC2
InChIInChI=1S/C16H21NO3S2/c1-22(19,20)17-14-9-11-7-8-15(18)13(11)10-16(14)21-12-5-3-2-4-6-12/h9-10,12,17H,2-8H2,1H3
InChIKeyLWIVKEAWCVURHR-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.61
Rot. Bonds4

About N-(6-cyclohexylsulfanyl-1-oxo-2,3-dihydroinden-5-yl)methanesulfonamide

N-(6-cyclohexylsulfanyl-1-oxo-2,3-dihydroinden-5-yl)methanesulfonamide (PubChem CID 10807025) has the molecular formula C16H21NO3S2 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-(6-cyclohexylsulfanyl-1-oxo-2,3-dihydroinden-5-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(6-cyclohexylsulfanyl-1-oxo-2,3-dihydroinden-5-yl)methanesulfonamide
PubChem CID10807025
Molecular FormulaC16H21NO3S2
Molecular Weight339.48 g/mol
Exact Mass339.10
IUPAC NameN-(6-cyclohexylsulfanyl-1-oxo-2,3-dihydroinden-5-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc2c(cc1SC1CCCCC1)C(=O)CC2
InChIInChI=1S/C16H21NO3S2/c1-22(19,20)17-14-9-11-7-8-15(18)13(11)10-16(14)21-12-5-3-2-4-6-12/h9-10,12,17H,2-8H2,1H3
InChIKeyLWIVKEAWCVURHR-UHFFFAOYSA-N
XLogP3.61
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(6-cyclohexylsulfanyl-1-oxo-2,3-dihydroinden-5-yl)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-(6-cyclohexylsulfanyl-1-oxo-2,3-dihydroinden-5-yl)methanesulfonamide?
The IUPAC name of N-(6-cyclohexylsulfanyl-1-oxo-2,3-dihydroinden-5-yl)methanesulfonamide (CID 10807025) is N-(6-cyclohexylsulfanyl-1-oxo-2,3-dihydroinden-5-yl)methanesulfonamide.
What is the SMILES notation for N-(6-cyclohexylsulfanyl-1-oxo-2,3-dihydroinden-5-yl)methanesulfonamide?
The canonical SMILES for N-(6-cyclohexylsulfanyl-1-oxo-2,3-dihydroinden-5-yl)methanesulfonamide is CS(=O)(=O)Nc1cc2c(cc1SC1CCCCC1)C(=O)CC2.
What is the InChIKey of N-(6-cyclohexylsulfanyl-1-oxo-2,3-dihydroinden-5-yl)methanesulfonamide?
The InChIKey is LWIVKEAWCVURHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S2/c1-22(19,20)17-14-9-11-7-8-15(18)13(11)10-16(14)21-12-5-3-2-4-6-12/h9-10,12,17H,2-8H2,1H3.
What are the key properties of N-(6-cyclohexylsulfanyl-1-oxo-2,3-dihydroinden-5-yl)methanesulfonamide?
N-(6-cyclohexylsulfanyl-1-oxo-2,3-dihydroinden-5-yl)methanesulfonamide has a molecular weight of 339.48 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyclohexylsulfanyl-1-oxo-2,3-dihydroinden-5-yl)methanesulfonamide is sourced from PubChem (CID 10807025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).