3-(2-chloroethylsulfonylamino)-N-methylpropanamide

C6H13ClN2O3S — CID 107651828

IUPAC3-(2-chloroethylsulfonylamino)-N-methylpropanamide
SMILESCNC(=O)CCNS(=O)(=O)CCCl
InChIInChI=1S/C6H13ClN2O3S/c1-8-6(10)2-4-9-13(11,12)5-3-7/h9H,2-5H2,1H3,(H,8,10)
InChIKeyBGAIGYBVJJGKHH-UHFFFAOYSA-N
MW228.70 g/mol
LogP-0.72
Rot. Bonds6

About 3-(2-chloroethylsulfonylamino)-N-methylpropanamide

3-(2-chloroethylsulfonylamino)-N-methylpropanamide (PubChem CID 107651828) has the molecular formula C6H13ClN2O3S and a molecular weight of 228.70 g/mol. Its IUPAC name is 3-(2-chloroethylsulfonylamino)-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-chloroethylsulfonylamino)-N-methylpropanamide
PubChem CID107651828
Molecular FormulaC6H13ClN2O3S
Molecular Weight228.70 g/mol
Exact Mass228.03
IUPAC Name3-(2-chloroethylsulfonylamino)-N-methylpropanamide
SMILESCNC(=O)CCNS(=O)(=O)CCCl
InChIInChI=1S/C6H13ClN2O3S/c1-8-6(10)2-4-9-13(11,12)5-3-7/h9H,2-5H2,1H3,(H,8,10)
InChIKeyBGAIGYBVJJGKHH-UHFFFAOYSA-N
XLogP-0.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-chloroethylsulfonylamino)-N-methylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(4-chlorobutylsulfonylamino)-N-methylpropanamide
CID 116816081
2-(2-chloroethylsulfonylamino)-N-methylacetamide
CID 107650514
3-(chloromethylsulfonyl)-N-methylpropanamide
CID 131227677
2-(2-chloroethylsulfonylamino)ethylurea
CID 107652346
4-chloro-N-[3-(methylamino)-3-oxopropyl]butanamide
CID 63308286
3-(chloromethylsulfonylamino)propanoic acid
CID 63664761
3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 17192561
3-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-N-methylpropanamide
CID 51088742
N-methyl-3-(2-propan-2-ylsulfonylethylamino)propanamide
CID 106723531
N-methyl-N'-[3-(methylamino)-3-oxopropyl]butanediamide
CID 10680195
N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384
2-chloro-N-[2-(2-methylpropoxy)ethyl]ethanesulfonamide
CID 107652526

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethylsulfonylamino)-N-methylpropanamide?
The IUPAC name of 3-(2-chloroethylsulfonylamino)-N-methylpropanamide (CID 107651828) is 3-(2-chloroethylsulfonylamino)-N-methylpropanamide.
What is the SMILES notation for 3-(2-chloroethylsulfonylamino)-N-methylpropanamide?
The canonical SMILES for 3-(2-chloroethylsulfonylamino)-N-methylpropanamide is CNC(=O)CCNS(=O)(=O)CCCl.
What is the InChIKey of 3-(2-chloroethylsulfonylamino)-N-methylpropanamide?
The InChIKey is BGAIGYBVJJGKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClN2O3S/c1-8-6(10)2-4-9-13(11,12)5-3-7/h9H,2-5H2,1H3,(H,8,10).
What are the key properties of 3-(2-chloroethylsulfonylamino)-N-methylpropanamide?
3-(2-chloroethylsulfonylamino)-N-methylpropanamide has a molecular weight of 228.70 g/mol, XLogP of -0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethylsulfonylamino)-N-methylpropanamide is sourced from PubChem (CID 107651828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).