2-[chloromethylsulfonyl(ethyl)amino]-N,N-dimethylacetamide

C7H15ClN2O3S — CID 63666754

IUPAC2-[chloromethylsulfonyl(ethyl)amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)S(=O)(=O)CCl
InChIInChI=1S/C7H15ClN2O3S/c1-4-10(14(12,13)6-8)5-7(11)9(2)3/h4-6H2,1-3H3
InChIKeyIASOEMGVQZRXDW-UHFFFAOYSA-N
MW242.73 g/mol
LogP-0.08
Rot. Bonds5

About 2-[chloromethylsulfonyl(ethyl)amino]-N,N-dimethylacetamide

2-[chloromethylsulfonyl(ethyl)amino]-N,N-dimethylacetamide (PubChem CID 63666754) has the molecular formula C7H15ClN2O3S and a molecular weight of 242.73 g/mol. Its IUPAC name is 2-[chloromethylsulfonyl(ethyl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[chloromethylsulfonyl(ethyl)amino]-N,N-dimethylacetamide
PubChem CID63666754
Molecular FormulaC7H15ClN2O3S
Molecular Weight242.73 g/mol
Exact Mass242.05
IUPAC Name2-[chloromethylsulfonyl(ethyl)amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)S(=O)(=O)CCl
InChIInChI=1S/C7H15ClN2O3S/c1-4-10(14(12,13)6-8)5-7(11)9(2)3/h4-6H2,1-3H3
InChIKeyIASOEMGVQZRXDW-UHFFFAOYSA-N
XLogP-0.08
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[chloromethylsulfonyl(ethyl)amino]-N,N-dimethylacetamide 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-[chloromethylsulfonyl(ethyl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[chloromethylsulfonyl(ethyl)amino]-N,N-dimethylacetamide (CID 63666754) is 2-[chloromethylsulfonyl(ethyl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[chloromethylsulfonyl(ethyl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[chloromethylsulfonyl(ethyl)amino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)S(=O)(=O)CCl.
What is the InChIKey of 2-[chloromethylsulfonyl(ethyl)amino]-N,N-dimethylacetamide?
The InChIKey is IASOEMGVQZRXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClN2O3S/c1-4-10(14(12,13)6-8)5-7(11)9(2)3/h4-6H2,1-3H3.
What are the key properties of 2-[chloromethylsulfonyl(ethyl)amino]-N,N-dimethylacetamide?
2-[chloromethylsulfonyl(ethyl)amino]-N,N-dimethylacetamide has a molecular weight of 242.73 g/mol, XLogP of -0.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloromethylsulfonyl(ethyl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 63666754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).