2-(2-chloroethylsulfonyl)propan-1-amine

C5H12ClNO2S — CID 54569023

IUPAC2-(2-chloroethylsulfonyl)propan-1-amine
SMILESCC(CN)S(=O)(=O)CCCl
InChIInChI=1S/C5H12ClNO2S/c1-5(4-7)10(8,9)3-2-6/h5H,2-4,7H2,1H3
InChIKeyZVXHVGDUCVGFAL-UHFFFAOYSA-N
MW185.68 g/mol
LogP-0.01
Rot. Bonds4

About 2-(2-chloroethylsulfonyl)propan-1-amine

2-(2-chloroethylsulfonyl)propan-1-amine (PubChem CID 54569023) has the molecular formula C5H12ClNO2S and a molecular weight of 185.68 g/mol. Its IUPAC name is 2-(2-chloroethylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-chloroethylsulfonyl)propan-1-amine
PubChem CID54569023
Molecular FormulaC5H12ClNO2S
Molecular Weight185.68 g/mol
Exact Mass185.03
IUPAC Name2-(2-chloroethylsulfonyl)propan-1-amine
SMILESCC(CN)S(=O)(=O)CCCl
InChIInChI=1S/C5H12ClNO2S/c1-5(4-7)10(8,9)3-2-6/h5H,2-4,7H2,1H3
InChIKeyZVXHVGDUCVGFAL-UHFFFAOYSA-N
XLogP-0.01
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.68
LogP ≤ 5-0.01
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-(2-chloroethylsulfonyl)propan-1-amine?
The IUPAC name of 2-(2-chloroethylsulfonyl)propan-1-amine (CID 54569023) is 2-(2-chloroethylsulfonyl)propan-1-amine.
What is the SMILES notation for 2-(2-chloroethylsulfonyl)propan-1-amine?
The canonical SMILES for 2-(2-chloroethylsulfonyl)propan-1-amine is CC(CN)S(=O)(=O)CCCl.
What is the InChIKey of 2-(2-chloroethylsulfonyl)propan-1-amine?
The InChIKey is ZVXHVGDUCVGFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClNO2S/c1-5(4-7)10(8,9)3-2-6/h5H,2-4,7H2,1H3.
What are the key properties of 2-(2-chloroethylsulfonyl)propan-1-amine?
2-(2-chloroethylsulfonyl)propan-1-amine has a molecular weight of 185.68 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethylsulfonyl)propan-1-amine is sourced from PubChem (CID 54569023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).