3-(dimethylamino)propane-1-sulfonyl chloride;hydrochloride

C5H13Cl2NO2S — CID 14219660

IUPAC3-(dimethylamino)propane-1-sulfonyl chloride;hydrochloride
SMILESCN(C)CCCS(=O)(=O)Cl.Cl
InChIInChI=1S/C5H12ClNO2S.ClH/c1-7(2)4-3-5-10(6,8)9;/h3-5H2,1-2H3;1H
InChIKeyBYKKHSIDBWTCTP-UHFFFAOYSA-N
MW222.14 g/mol
LogP0.93
Rot. Bonds4

About 3-(dimethylamino)propane-1-sulfonyl chloride;hydrochloride

3-(dimethylamino)propane-1-sulfonyl chloride;hydrochloride (PubChem CID 14219660) has the molecular formula C5H13Cl2NO2S and a molecular weight of 222.14 g/mol. Its IUPAC name is 3-(dimethylamino)propane-1-sulfonyl chloride;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)propane-1-sulfonyl chloride;hydrochloride
PubChem CID14219660
Molecular FormulaC5H13Cl2NO2S
Molecular Weight222.14 g/mol
Exact Mass221.00
IUPAC Name3-(dimethylamino)propane-1-sulfonyl chloride;hydrochloride
SMILESCN(C)CCCS(=O)(=O)Cl.Cl
InChIInChI=1S/C5H12ClNO2S.ClH/c1-7(2)4-3-5-10(6,8)9;/h3-5H2,1-2H3;1H
InChIKeyBYKKHSIDBWTCTP-UHFFFAOYSA-N
XLogP0.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.14
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propane-1-sulfonyl chloride;hydrochloride?
The IUPAC name of 3-(dimethylamino)propane-1-sulfonyl chloride;hydrochloride (CID 14219660) is 3-(dimethylamino)propane-1-sulfonyl chloride;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)propane-1-sulfonyl chloride;hydrochloride?
The canonical SMILES for 3-(dimethylamino)propane-1-sulfonyl chloride;hydrochloride is CN(C)CCCS(=O)(=O)Cl.Cl.
What is the InChIKey of 3-(dimethylamino)propane-1-sulfonyl chloride;hydrochloride?
The InChIKey is BYKKHSIDBWTCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClNO2S.ClH/c1-7(2)4-3-5-10(6,8)9;/h3-5H2,1-2H3;1H.
What are the key properties of 3-(dimethylamino)propane-1-sulfonyl chloride;hydrochloride?
3-(dimethylamino)propane-1-sulfonyl chloride;hydrochloride has a molecular weight of 222.14 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propane-1-sulfonyl chloride;hydrochloride is sourced from PubChem (CID 14219660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).