2-[3-chloropropylsulfonyl(methyl)amino]-N-methylacetamide

C7H15ClN2O3S — CID 43653848

IUPAC2-[3-chloropropylsulfonyl(methyl)amino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)CCCCl
InChIInChI=1S/C7H15ClN2O3S/c1-9-7(11)6-10(2)14(12,13)5-3-4-8/h3-6H2,1-2H3,(H,9,11)
InChIKeyTUPQLRYOWFWBIG-UHFFFAOYSA-N
MW242.73 g/mol
LogP-0.38
Rot. Bonds6

About 2-[3-chloropropylsulfonyl(methyl)amino]-N-methylacetamide

2-[3-chloropropylsulfonyl(methyl)amino]-N-methylacetamide (PubChem CID 43653848) has the molecular formula C7H15ClN2O3S and a molecular weight of 242.73 g/mol. Its IUPAC name is 2-[3-chloropropylsulfonyl(methyl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-chloropropylsulfonyl(methyl)amino]-N-methylacetamide
PubChem CID43653848
Molecular FormulaC7H15ClN2O3S
Molecular Weight242.73 g/mol
Exact Mass242.05
IUPAC Name2-[3-chloropropylsulfonyl(methyl)amino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)CCCCl
InChIInChI=1S/C7H15ClN2O3S/c1-9-7(11)6-10(2)14(12,13)5-3-4-8/h3-6H2,1-2H3,(H,9,11)
InChIKeyTUPQLRYOWFWBIG-UHFFFAOYSA-N
XLogP-0.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
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-[3-chloropropylsulfonyl(methyl)amino]-N-methylacetamide?
The IUPAC name of 2-[3-chloropropylsulfonyl(methyl)amino]-N-methylacetamide (CID 43653848) is 2-[3-chloropropylsulfonyl(methyl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[3-chloropropylsulfonyl(methyl)amino]-N-methylacetamide?
The canonical SMILES for 2-[3-chloropropylsulfonyl(methyl)amino]-N-methylacetamide is CNC(=O)CN(C)S(=O)(=O)CCCCl.
What is the InChIKey of 2-[3-chloropropylsulfonyl(methyl)amino]-N-methylacetamide?
The InChIKey is TUPQLRYOWFWBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClN2O3S/c1-9-7(11)6-10(2)14(12,13)5-3-4-8/h3-6H2,1-2H3,(H,9,11).
What are the key properties of 2-[3-chloropropylsulfonyl(methyl)amino]-N-methylacetamide?
2-[3-chloropropylsulfonyl(methyl)amino]-N-methylacetamide has a molecular weight of 242.73 g/mol, XLogP of -0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloropropylsulfonyl(methyl)amino]-N-methylacetamide is sourced from PubChem (CID 43653848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).