2-(3-chloropropylsulfonylamino)-N-methylacetamide

C6H13ClN2O3S — CID 43653839

IUPAC2-(3-chloropropylsulfonylamino)-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)CCCCl
InChIInChI=1S/C6H13ClN2O3S/c1-8-6(10)5-9-13(11,12)4-2-3-7/h9H,2-5H2,1H3,(H,8,10)
InChIKeyQUCWJFWIUAHFNC-UHFFFAOYSA-N
MW228.70 g/mol
LogP-0.72
Rot. Bonds6

About 2-(3-chloropropylsulfonylamino)-N-methylacetamide

2-(3-chloropropylsulfonylamino)-N-methylacetamide (PubChem CID 43653839) has the molecular formula C6H13ClN2O3S and a molecular weight of 228.70 g/mol. Its IUPAC name is 2-(3-chloropropylsulfonylamino)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-chloropropylsulfonylamino)-N-methylacetamide
PubChem CID43653839
Molecular FormulaC6H13ClN2O3S
Molecular Weight228.70 g/mol
Exact Mass228.03
IUPAC Name2-(3-chloropropylsulfonylamino)-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)CCCCl
InChIInChI=1S/C6H13ClN2O3S/c1-8-6(10)5-9-13(11,12)4-2-3-7/h9H,2-5H2,1H3,(H,8,10)
InChIKeyQUCWJFWIUAHFNC-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropylsulfonylamino)-N-methylacetamide?
The IUPAC name of 2-(3-chloropropylsulfonylamino)-N-methylacetamide (CID 43653839) is 2-(3-chloropropylsulfonylamino)-N-methylacetamide.
What is the SMILES notation for 2-(3-chloropropylsulfonylamino)-N-methylacetamide?
The canonical SMILES for 2-(3-chloropropylsulfonylamino)-N-methylacetamide is CNC(=O)CNS(=O)(=O)CCCCl.
What is the InChIKey of 2-(3-chloropropylsulfonylamino)-N-methylacetamide?
The InChIKey is QUCWJFWIUAHFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClN2O3S/c1-8-6(10)5-9-13(11,12)4-2-3-7/h9H,2-5H2,1H3,(H,8,10).
What are the key properties of 2-(3-chloropropylsulfonylamino)-N-methylacetamide?
2-(3-chloropropylsulfonylamino)-N-methylacetamide 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 2-(3-chloropropylsulfonylamino)-N-methylacetamide is sourced from PubChem (CID 43653839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).