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

C6H13ClN2O3S — CID 63665507

IUPAC2-[chloromethylsulfonyl(methyl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)S(=O)(=O)CCl
InChIInChI=1S/C6H13ClN2O3S/c1-8(2)6(10)4-9(3)13(11,12)5-7/h4-5H2,1-3H3
InChIKeyLBPGREYVYYYFBY-UHFFFAOYSA-N
MW228.70 g/mol
LogP-0.47
Rot. Bonds4

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

2-[chloromethylsulfonyl(methyl)amino]-N,N-dimethylacetamide (PubChem CID 63665507) has the molecular formula C6H13ClN2O3S and a molecular weight of 228.70 g/mol. Its IUPAC name is 2-[chloromethylsulfonyl(methyl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[chloromethylsulfonyl(methyl)amino]-N,N-dimethylacetamide
PubChem CID63665507
Molecular FormulaC6H13ClN2O3S
Molecular Weight228.70 g/mol
Exact Mass228.03
IUPAC Name2-[chloromethylsulfonyl(methyl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)S(=O)(=O)CCl
InChIInChI=1S/C6H13ClN2O3S/c1-8(2)6(10)4-9(3)13(11,12)5-7/h4-5H2,1-3H3
InChIKeyLBPGREYVYYYFBY-UHFFFAOYSA-N
XLogP-0.47
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-[chloromethylsulfonyl(methyl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[chloromethylsulfonyl(methyl)amino]-N,N-dimethylacetamide (CID 63665507) is 2-[chloromethylsulfonyl(methyl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[chloromethylsulfonyl(methyl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[chloromethylsulfonyl(methyl)amino]-N,N-dimethylacetamide is CN(C)C(=O)CN(C)S(=O)(=O)CCl.
What is the InChIKey of 2-[chloromethylsulfonyl(methyl)amino]-N,N-dimethylacetamide?
The InChIKey is LBPGREYVYYYFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClN2O3S/c1-8(2)6(10)4-9(3)13(11,12)5-7/h4-5H2,1-3H3.
What are the key properties of 2-[chloromethylsulfonyl(methyl)amino]-N,N-dimethylacetamide?
2-[chloromethylsulfonyl(methyl)amino]-N,N-dimethylacetamide has a molecular weight of 228.70 g/mol, XLogP of -0.47, 4 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-dimethylacetamide is sourced from PubChem (CID 63665507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).