1-chloro-N-(2,2-dimethylcyclopropyl)methanesulfonamide

C6H12ClNO2S — CID 63664364

IUPAC1-chloro-N-(2,2-dimethylcyclopropyl)methanesulfonamide
SMILESCC1(C)CC1NS(=O)(=O)CCl
InChIInChI=1S/C6H12ClNO2S/c1-6(2)3-5(6)8-11(9,10)4-7/h5,8H,3-4H2,1-2H3
InChIKeyKVWAYCBXEOEBLG-UHFFFAOYSA-N
MW197.69 g/mol
LogP0.90
Rot. Bonds3

About 1-chloro-N-(2,2-dimethylcyclopropyl)methanesulfonamide

1-chloro-N-(2,2-dimethylcyclopropyl)methanesulfonamide (PubChem CID 63664364) has the molecular formula C6H12ClNO2S and a molecular weight of 197.69 g/mol. Its IUPAC name is 1-chloro-N-(2,2-dimethylcyclopropyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(2,2-dimethylcyclopropyl)methanesulfonamide
PubChem CID63664364
Molecular FormulaC6H12ClNO2S
Molecular Weight197.69 g/mol
Exact Mass197.03
IUPAC Name1-chloro-N-(2,2-dimethylcyclopropyl)methanesulfonamide
SMILESCC1(C)CC1NS(=O)(=O)CCl
InChIInChI=1S/C6H12ClNO2S/c1-6(2)3-5(6)8-11(9,10)4-7/h5,8H,3-4H2,1-2H3
InChIKeyKVWAYCBXEOEBLG-UHFFFAOYSA-N
XLogP0.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.69
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-chloro-N-(2,2-dimethylcyclopropyl)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 1-chloro-N-(2,2-dimethylcyclopropyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(2,2-dimethylcyclopropyl)methanesulfonamide (CID 63664364) is 1-chloro-N-(2,2-dimethylcyclopropyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(2,2-dimethylcyclopropyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(2,2-dimethylcyclopropyl)methanesulfonamide is CC1(C)CC1NS(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-(2,2-dimethylcyclopropyl)methanesulfonamide?
The InChIKey is KVWAYCBXEOEBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO2S/c1-6(2)3-5(6)8-11(9,10)4-7/h5,8H,3-4H2,1-2H3.
What are the key properties of 1-chloro-N-(2,2-dimethylcyclopropyl)methanesulfonamide?
1-chloro-N-(2,2-dimethylcyclopropyl)methanesulfonamide has a molecular weight of 197.69 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(2,2-dimethylcyclopropyl)methanesulfonamide is sourced from PubChem (CID 63664364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).