2-[chloromethylsulfonyl(methyl)amino]-N,N-diethylacetamide

C8H17ClN2O3S — CID 63665984

IUPAC2-[chloromethylsulfonyl(methyl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)S(=O)(=O)CCl
InChIInChI=1S/C8H17ClN2O3S/c1-4-11(5-2)8(12)6-10(3)15(13,14)7-9/h4-7H2,1-3H3
InChIKeyDSUYYCOREFDNBH-UHFFFAOYSA-N
MW256.75 g/mol
LogP0.31
Rot. Bonds6

About 2-[chloromethylsulfonyl(methyl)amino]-N,N-diethylacetamide

2-[chloromethylsulfonyl(methyl)amino]-N,N-diethylacetamide (PubChem CID 63665984) has the molecular formula C8H17ClN2O3S and a molecular weight of 256.75 g/mol. Its IUPAC name is 2-[chloromethylsulfonyl(methyl)amino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[chloromethylsulfonyl(methyl)amino]-N,N-diethylacetamide
PubChem CID63665984
Molecular FormulaC8H17ClN2O3S
Molecular Weight256.75 g/mol
Exact Mass256.06
IUPAC Name2-[chloromethylsulfonyl(methyl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)S(=O)(=O)CCl
InChIInChI=1S/C8H17ClN2O3S/c1-4-11(5-2)8(12)6-10(3)15(13,14)7-9/h4-7H2,1-3H3
InChIKeyDSUYYCOREFDNBH-UHFFFAOYSA-N
XLogP0.31
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[chloromethylsulfonyl(methyl)amino]-N,N-diethylacetamide 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(methyl)amino]-N,N-diethylacetamide?
The IUPAC name of 2-[chloromethylsulfonyl(methyl)amino]-N,N-diethylacetamide (CID 63665984) is 2-[chloromethylsulfonyl(methyl)amino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[chloromethylsulfonyl(methyl)amino]-N,N-diethylacetamide?
The canonical SMILES for 2-[chloromethylsulfonyl(methyl)amino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)S(=O)(=O)CCl.
What is the InChIKey of 2-[chloromethylsulfonyl(methyl)amino]-N,N-diethylacetamide?
The InChIKey is DSUYYCOREFDNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClN2O3S/c1-4-11(5-2)8(12)6-10(3)15(13,14)7-9/h4-7H2,1-3H3.
What are the key properties of 2-[chloromethylsulfonyl(methyl)amino]-N,N-diethylacetamide?
2-[chloromethylsulfonyl(methyl)amino]-N,N-diethylacetamide has a molecular weight of 256.75 g/mol, XLogP of 0.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloromethylsulfonyl(methyl)amino]-N,N-diethylacetamide is sourced from PubChem (CID 63665984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).