2-(3-chloropropylsulfonylamino)-N-propan-2-ylacetamide

C8H17ClN2O3S — CID 43653871

IUPAC2-(3-chloropropylsulfonylamino)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNS(=O)(=O)CCCCl
InChIInChI=1S/C8H17ClN2O3S/c1-7(2)11-8(12)6-10-15(13,14)5-3-4-9/h7,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyFRNMUHKVZBRYTD-UHFFFAOYSA-N
MW256.75 g/mol
LogP0.06
Rot. Bonds7

About 2-(3-chloropropylsulfonylamino)-N-propan-2-ylacetamide

2-(3-chloropropylsulfonylamino)-N-propan-2-ylacetamide (PubChem CID 43653871) has the molecular formula C8H17ClN2O3S and a molecular weight of 256.75 g/mol. Its IUPAC name is 2-(3-chloropropylsulfonylamino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-chloropropylsulfonylamino)-N-propan-2-ylacetamide
PubChem CID43653871
Molecular FormulaC8H17ClN2O3S
Molecular Weight256.75 g/mol
Exact Mass256.06
IUPAC Name2-(3-chloropropylsulfonylamino)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNS(=O)(=O)CCCCl
InChIInChI=1S/C8H17ClN2O3S/c1-7(2)11-8(12)6-10-15(13,14)5-3-4-9/h7,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyFRNMUHKVZBRYTD-UHFFFAOYSA-N
XLogP0.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 50.06
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-propan-2-ylacetamide?
The IUPAC name of 2-(3-chloropropylsulfonylamino)-N-propan-2-ylacetamide (CID 43653871) is 2-(3-chloropropylsulfonylamino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-chloropropylsulfonylamino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-chloropropylsulfonylamino)-N-propan-2-ylacetamide is CC(C)NC(=O)CNS(=O)(=O)CCCCl.
What is the InChIKey of 2-(3-chloropropylsulfonylamino)-N-propan-2-ylacetamide?
The InChIKey is FRNMUHKVZBRYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClN2O3S/c1-7(2)11-8(12)6-10-15(13,14)5-3-4-9/h7,10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-(3-chloropropylsulfonylamino)-N-propan-2-ylacetamide?
2-(3-chloropropylsulfonylamino)-N-propan-2-ylacetamide has a molecular weight of 256.75 g/mol, XLogP of 0.06, 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-propan-2-ylacetamide is sourced from PubChem (CID 43653871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).