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

C9H17ClN2O3S — CID 43653889

IUPAC2-[3-chloropropylsulfonyl(methyl)amino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)S(=O)(=O)CCCCl
InChIInChI=1S/C9H17ClN2O3S/c1-12(16(14,15)6-2-5-10)7-9(13)11-8-3-4-8/h8H,2-7H2,1H3,(H,11,13)
InChIKeyXSTHYWBUJUUPPR-UHFFFAOYSA-N
MW268.77 g/mol
LogP0.16
Rot. Bonds7

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

2-[3-chloropropylsulfonyl(methyl)amino]-N-cyclopropylacetamide (PubChem CID 43653889) has the molecular formula C9H17ClN2O3S and a molecular weight of 268.77 g/mol. Its IUPAC name is 2-[3-chloropropylsulfonyl(methyl)amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[3-chloropropylsulfonyl(methyl)amino]-N-cyclopropylacetamide
PubChem CID43653889
Molecular FormulaC9H17ClN2O3S
Molecular Weight268.77 g/mol
Exact Mass268.06
IUPAC Name2-[3-chloropropylsulfonyl(methyl)amino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)S(=O)(=O)CCCCl
InChIInChI=1S/C9H17ClN2O3S/c1-12(16(14,15)6-2-5-10)7-9(13)11-8-3-4-8/h8H,2-7H2,1H3,(H,11,13)
InChIKeyXSTHYWBUJUUPPR-UHFFFAOYSA-N
XLogP0.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 50.16
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-cyclopropylacetamide?
The IUPAC name of 2-[3-chloropropylsulfonyl(methyl)amino]-N-cyclopropylacetamide (CID 43653889) is 2-[3-chloropropylsulfonyl(methyl)amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[3-chloropropylsulfonyl(methyl)amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[3-chloropropylsulfonyl(methyl)amino]-N-cyclopropylacetamide is CN(CC(=O)NC1CC1)S(=O)(=O)CCCCl.
What is the InChIKey of 2-[3-chloropropylsulfonyl(methyl)amino]-N-cyclopropylacetamide?
The InChIKey is XSTHYWBUJUUPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClN2O3S/c1-12(16(14,15)6-2-5-10)7-9(13)11-8-3-4-8/h8H,2-7H2,1H3,(H,11,13).
What are the key properties of 2-[3-chloropropylsulfonyl(methyl)amino]-N-cyclopropylacetamide?
2-[3-chloropropylsulfonyl(methyl)amino]-N-cyclopropylacetamide has a molecular weight of 268.77 g/mol, XLogP of 0.16, 7 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-cyclopropylacetamide is sourced from PubChem (CID 43653889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).