1-chloro-N-(1-cyclopropylethyl)methanesulfonamide

C6H12ClNO2S — CID 63663866

IUPAC1-chloro-N-(1-cyclopropylethyl)methanesulfonamide
SMILESCC(NS(=O)(=O)CCl)C1CC1
InChIInChI=1S/C6H12ClNO2S/c1-5(6-2-3-6)8-11(9,10)4-7/h5-6,8H,2-4H2,1H3
InChIKeyHJLPFRJKPJQWAO-UHFFFAOYSA-N
MW197.69 g/mol
LogP0.90
Rot. Bonds4

About 1-chloro-N-(1-cyclopropylethyl)methanesulfonamide

1-chloro-N-(1-cyclopropylethyl)methanesulfonamide (PubChem CID 63663866) has the molecular formula C6H12ClNO2S and a molecular weight of 197.69 g/mol. Its IUPAC name is 1-chloro-N-(1-cyclopropylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(1-cyclopropylethyl)methanesulfonamide
PubChem CID63663866
Molecular FormulaC6H12ClNO2S
Molecular Weight197.69 g/mol
Exact Mass197.03
IUPAC Name1-chloro-N-(1-cyclopropylethyl)methanesulfonamide
SMILESCC(NS(=O)(=O)CCl)C1CC1
InChIInChI=1S/C6H12ClNO2S/c1-5(6-2-3-6)8-11(9,10)4-7/h5-6,8H,2-4H2,1H3
InChIKeyHJLPFRJKPJQWAO-UHFFFAOYSA-N
XLogP0.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(1-cyclopropylethyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(1-cyclopropylethyl)methanesulfonamide (CID 63663866) is 1-chloro-N-(1-cyclopropylethyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(1-cyclopropylethyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(1-cyclopropylethyl)methanesulfonamide is CC(NS(=O)(=O)CCl)C1CC1.
What is the InChIKey of 1-chloro-N-(1-cyclopropylethyl)methanesulfonamide?
The InChIKey is HJLPFRJKPJQWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO2S/c1-5(6-2-3-6)8-11(9,10)4-7/h5-6,8H,2-4H2,1H3.
What are the key properties of 1-chloro-N-(1-cyclopropylethyl)methanesulfonamide?
1-chloro-N-(1-cyclopropylethyl)methanesulfonamide has a molecular weight of 197.69 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(1-cyclopropylethyl)methanesulfonamide is sourced from PubChem (CID 63663866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).