2-(2-chloroethylsulfonyl)-N-methylethanamine

C5H12ClNO2S — CID 19078098

IUPAC2-(2-chloroethylsulfonyl)-N-methylethanamine
SMILESCNCCS(=O)(=O)CCCl
InChIInChI=1S/C5H12ClNO2S/c1-7-3-5-10(8,9)4-2-6/h7H,2-5H2,1H3
InChIKeyYDFNBPRUNNNVCN-UHFFFAOYSA-N
MW185.68 g/mol
LogP-0.14
Rot. Bonds5

About 2-(2-chloroethylsulfonyl)-N-methylethanamine

2-(2-chloroethylsulfonyl)-N-methylethanamine (PubChem CID 19078098) has the molecular formula C5H12ClNO2S and a molecular weight of 185.68 g/mol. Its IUPAC name is 2-(2-chloroethylsulfonyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chloroethylsulfonyl)-N-methylethanamine
PubChem CID19078098
Molecular FormulaC5H12ClNO2S
Molecular Weight185.68 g/mol
Exact Mass185.03
IUPAC Name2-(2-chloroethylsulfonyl)-N-methylethanamine
SMILESCNCCS(=O)(=O)CCCl
InChIInChI=1S/C5H12ClNO2S/c1-7-3-5-10(8,9)4-2-6/h7H,2-5H2,1H3
InChIKeyYDFNBPRUNNNVCN-UHFFFAOYSA-N
XLogP-0.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.68
LogP ≤ 5-0.14
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)-N-methylethanamine?
The IUPAC name of 2-(2-chloroethylsulfonyl)-N-methylethanamine (CID 19078098) is 2-(2-chloroethylsulfonyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-chloroethylsulfonyl)-N-methylethanamine?
The canonical SMILES for 2-(2-chloroethylsulfonyl)-N-methylethanamine is CNCCS(=O)(=O)CCCl.
What is the InChIKey of 2-(2-chloroethylsulfonyl)-N-methylethanamine?
The InChIKey is YDFNBPRUNNNVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClNO2S/c1-7-3-5-10(8,9)4-2-6/h7H,2-5H2,1H3.
What are the key properties of 2-(2-chloroethylsulfonyl)-N-methylethanamine?
2-(2-chloroethylsulfonyl)-N-methylethanamine has a molecular weight of 185.68 g/mol, XLogP of -0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethylsulfonyl)-N-methylethanamine is sourced from PubChem (CID 19078098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).