2-methyl-N-[(4-nitrosocyclohexyl)methyl]propane-2-sulfonamide

C11H22N2O3S — CID 89209330

IUPAC2-methyl-N-[(4-nitrosocyclohexyl)methyl]propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCC1CCC(N=O)CC1
InChIInChI=1S/C11H22N2O3S/c1-11(2,3)17(15,16)12-8-9-4-6-10(13-14)7-5-9/h9-10,12H,4-8H2,1-3H3
InChIKeyPEPVIDXTOWJMRE-UHFFFAOYSA-N
MW262.37 g/mol
LogP2.03
Rot. Bonds4

About 2-methyl-N-[(4-nitrosocyclohexyl)methyl]propane-2-sulfonamide

2-methyl-N-[(4-nitrosocyclohexyl)methyl]propane-2-sulfonamide (PubChem CID 89209330) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-methyl-N-[(4-nitrosocyclohexyl)methyl]propane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[(4-nitrosocyclohexyl)methyl]propane-2-sulfonamide
PubChem CID89209330
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name2-methyl-N-[(4-nitrosocyclohexyl)methyl]propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCC1CCC(N=O)CC1
InChIInChI=1S/C11H22N2O3S/c1-11(2,3)17(15,16)12-8-9-4-6-10(13-14)7-5-9/h9-10,12H,4-8H2,1-3H3
InChIKeyPEPVIDXTOWJMRE-UHFFFAOYSA-N
XLogP2.03
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[(4-nitrosocyclohexyl)methyl]propane-2-sulfonamide 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 2-methyl-N-[(4-nitrosocyclohexyl)methyl]propane-2-sulfonamide?
The IUPAC name of 2-methyl-N-[(4-nitrosocyclohexyl)methyl]propane-2-sulfonamide (CID 89209330) is 2-methyl-N-[(4-nitrosocyclohexyl)methyl]propane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-[(4-nitrosocyclohexyl)methyl]propane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-[(4-nitrosocyclohexyl)methyl]propane-2-sulfonamide is CC(C)(C)S(=O)(=O)NCC1CCC(N=O)CC1.
What is the InChIKey of 2-methyl-N-[(4-nitrosocyclohexyl)methyl]propane-2-sulfonamide?
The InChIKey is PEPVIDXTOWJMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-11(2,3)17(15,16)12-8-9-4-6-10(13-14)7-5-9/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 2-methyl-N-[(4-nitrosocyclohexyl)methyl]propane-2-sulfonamide?
2-methyl-N-[(4-nitrosocyclohexyl)methyl]propane-2-sulfonamide has a molecular weight of 262.37 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-nitrosocyclohexyl)methyl]propane-2-sulfonamide is sourced from PubChem (CID 89209330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).