2-(3-chloropropylsulfonylamino)-N-cyclopropylacetamide

C8H15ClN2O3S — CID 43653870

IUPAC2-(3-chloropropylsulfonylamino)-N-cyclopropylacetamide
SMILESO=C(CNS(=O)(=O)CCCCl)NC1CC1
InChIInChI=1S/C8H15ClN2O3S/c9-4-1-5-15(13,14)10-6-8(12)11-7-2-3-7/h7,10H,1-6H2,(H,11,12)
InChIKeyKFFNIWFSZSUMQU-UHFFFAOYSA-N
MW254.74 g/mol
LogP-0.19
Rot. Bonds7

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

2-(3-chloropropylsulfonylamino)-N-cyclopropylacetamide (PubChem CID 43653870) has the molecular formula C8H15ClN2O3S and a molecular weight of 254.74 g/mol. Its IUPAC name is 2-(3-chloropropylsulfonylamino)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(3-chloropropylsulfonylamino)-N-cyclopropylacetamide
PubChem CID43653870
Molecular FormulaC8H15ClN2O3S
Molecular Weight254.74 g/mol
Exact Mass254.05
IUPAC Name2-(3-chloropropylsulfonylamino)-N-cyclopropylacetamide
SMILESO=C(CNS(=O)(=O)CCCCl)NC1CC1
InChIInChI=1S/C8H15ClN2O3S/c9-4-1-5-15(13,14)10-6-8(12)11-7-2-3-7/h7,10H,1-6H2,(H,11,12)
InChIKeyKFFNIWFSZSUMQU-UHFFFAOYSA-N
XLogP-0.19
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 5-0.19
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-cyclopropylacetamide?
The IUPAC name of 2-(3-chloropropylsulfonylamino)-N-cyclopropylacetamide (CID 43653870) is 2-(3-chloropropylsulfonylamino)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(3-chloropropylsulfonylamino)-N-cyclopropylacetamide?
The canonical SMILES for 2-(3-chloropropylsulfonylamino)-N-cyclopropylacetamide is O=C(CNS(=O)(=O)CCCCl)NC1CC1.
What is the InChIKey of 2-(3-chloropropylsulfonylamino)-N-cyclopropylacetamide?
The InChIKey is KFFNIWFSZSUMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O3S/c9-4-1-5-15(13,14)10-6-8(12)11-7-2-3-7/h7,10H,1-6H2,(H,11,12).
What are the key properties of 2-(3-chloropropylsulfonylamino)-N-cyclopropylacetamide?
2-(3-chloropropylsulfonylamino)-N-cyclopropylacetamide has a molecular weight of 254.74 g/mol, XLogP of -0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropylsulfonylamino)-N-cyclopropylacetamide is sourced from PubChem (CID 43653870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).