N-ethylpropane-1-sulfonamide;hydrochloride

C5H14ClNO2S — CID 22017686

IUPACN-ethylpropane-1-sulfonamide;hydrochloride
SMILESCCCS(=O)(=O)NCC.Cl
InChIInChI=1S/C5H13NO2S.ClH/c1-3-5-9(7,8)6-4-2;/h6H,3-5H2,1-2H3;1H
InChIKeyWHRDNQGNQSMDHP-UHFFFAOYSA-N
MW187.69 g/mol
LogP0.76
Rot. Bonds4

About N-ethylpropane-1-sulfonamide;hydrochloride

N-ethylpropane-1-sulfonamide;hydrochloride (PubChem CID 22017686) has the molecular formula C5H14ClNO2S and a molecular weight of 187.69 g/mol. Its IUPAC name is N-ethylpropane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-ethylpropane-1-sulfonamide;hydrochloride
PubChem CID22017686
Molecular FormulaC5H14ClNO2S
Molecular Weight187.69 g/mol
Exact Mass187.04
IUPAC NameN-ethylpropane-1-sulfonamide;hydrochloride
SMILESCCCS(=O)(=O)NCC.Cl
InChIInChI=1S/C5H13NO2S.ClH/c1-3-5-9(7,8)6-4-2;/h6H,3-5H2,1-2H3;1H
InChIKeyWHRDNQGNQSMDHP-UHFFFAOYSA-N
XLogP0.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.69
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[(4-methylcyclohexyl)amino]ethanesulfonamide
CID 115653668
4-bromo-N-ethylbutane-1-sulfonamide
CID 154346941
N-ethyl-2-(heptylamino)ethanesulfonamide
CID 106334117
N-ethylpent-3-ene-1-sulfonamide
CID 174075498
N-ethyl-4-methylpentane-1-sulfonamide
CID 121353244
N-octadecylpropane-1-sulfonamide
CID 88827291
N-(2-sulfamoylethyl)propane-1-sulfonamide
CID 61131733
N-ethyl-2-(2-methylpropylamino)ethanesulfonamide
CID 115876342
2-(2-aminoethylsulfanyl)-N-ethylethanesulfonamide
CID 89353242
N-(2,2-dimethylbutyl)propane-1-sulfonamide
CID 103465142
2-(azetidin-2-yl)-N-ethylethanesulfonamide
CID 115071323
4-amino-N-[2-(ethylsulfamoyl)ethyl]butane-1-sulfonamide
CID 106335894

Frequently Asked Questions

What is the IUPAC name of N-ethylpropane-1-sulfonamide;hydrochloride?
The IUPAC name of N-ethylpropane-1-sulfonamide;hydrochloride (CID 22017686) is N-ethylpropane-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-ethylpropane-1-sulfonamide;hydrochloride?
The canonical SMILES for N-ethylpropane-1-sulfonamide;hydrochloride is CCCS(=O)(=O)NCC.Cl.
What is the InChIKey of N-ethylpropane-1-sulfonamide;hydrochloride?
The InChIKey is WHRDNQGNQSMDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S.ClH/c1-3-5-9(7,8)6-4-2;/h6H,3-5H2,1-2H3;1H.
What are the key properties of N-ethylpropane-1-sulfonamide;hydrochloride?
N-ethylpropane-1-sulfonamide;hydrochloride has a molecular weight of 187.69 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylpropane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 22017686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).