2-(dipropylamino)ethanesulfonyl chloride;hydrochloride

C8H19Cl2NO2S — CID 170910214

IUPAC2-(dipropylamino)ethanesulfonyl chloride;hydrochloride
SMILESCCCN(CCC)CCS(=O)(=O)Cl.Cl
InChIInChI=1S/C8H18ClNO2S.ClH/c1-3-5-10(6-4-2)7-8-13(9,11)12;/h3-8H2,1-2H3;1H
InChIKeyYQBNHLLIFOLDAU-UHFFFAOYSA-N
MW264.22 g/mol
LogP2.10
Rot. Bonds7

About 2-(dipropylamino)ethanesulfonyl chloride;hydrochloride

2-(dipropylamino)ethanesulfonyl chloride;hydrochloride (PubChem CID 170910214) has the molecular formula C8H19Cl2NO2S and a molecular weight of 264.22 g/mol. Its IUPAC name is 2-(dipropylamino)ethanesulfonyl chloride;hydrochloride.

Molecular Properties

Compound Name2-(dipropylamino)ethanesulfonyl chloride;hydrochloride
PubChem CID170910214
Molecular FormulaC8H19Cl2NO2S
Molecular Weight264.22 g/mol
Exact Mass263.05
IUPAC Name2-(dipropylamino)ethanesulfonyl chloride;hydrochloride
SMILESCCCN(CCC)CCS(=O)(=O)Cl.Cl
InChIInChI=1S/C8H18ClNO2S.ClH/c1-3-5-10(6-4-2)7-8-13(9,11)12;/h3-8H2,1-2H3;1H
InChIKeyYQBNHLLIFOLDAU-UHFFFAOYSA-N
XLogP2.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(dipropylamino)ethanesulfonyl chloride;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)ethanesulfonyl chloride;hydrochloride?
The IUPAC name of 2-(dipropylamino)ethanesulfonyl chloride;hydrochloride (CID 170910214) is 2-(dipropylamino)ethanesulfonyl chloride;hydrochloride.
What is the SMILES notation for 2-(dipropylamino)ethanesulfonyl chloride;hydrochloride?
The canonical SMILES for 2-(dipropylamino)ethanesulfonyl chloride;hydrochloride is CCCN(CCC)CCS(=O)(=O)Cl.Cl.
What is the InChIKey of 2-(dipropylamino)ethanesulfonyl chloride;hydrochloride?
The InChIKey is YQBNHLLIFOLDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClNO2S.ClH/c1-3-5-10(6-4-2)7-8-13(9,11)12;/h3-8H2,1-2H3;1H.
What are the key properties of 2-(dipropylamino)ethanesulfonyl chloride;hydrochloride?
2-(dipropylamino)ethanesulfonyl chloride;hydrochloride has a molecular weight of 264.22 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)ethanesulfonyl chloride;hydrochloride is sourced from PubChem (CID 170910214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).