N-methylbutane-1-sulfonamide;hydrochloride

C5H14ClNO2S — CID 141278218

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

About N-methylbutane-1-sulfonamide;hydrochloride

N-methylbutane-1-sulfonamide;hydrochloride (PubChem CID 141278218) has the molecular formula C5H14ClNO2S and a molecular weight of 187.69 g/mol. Its IUPAC name is N-methylbutane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-methylbutane-1-sulfonamide;hydrochloride
PubChem CID141278218
Molecular FormulaC5H14ClNO2S
Molecular Weight187.69 g/mol
Exact Mass187.04
IUPAC NameN-methylbutane-1-sulfonamide;hydrochloride
SMILESCCCCS(=O)(=O)NC.Cl
InChIInChI=1S/C5H13NO2S.ClH/c1-3-4-5-9(7,8)6-2;/h6H,3-5H2,1-2H3;1H
InChIKeyCAUVIJWGSPGRQH-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-oxidobutane-1-sulfonamide
CID 141093832
N-(2-amino-2-methylpropyl)butane-1-sulfonamide
CID 115303565
N-methoxybutane-1-sulfonamide
CID 64973999
butylsulfonylchloranium
CID 20752756
N-decylbutane-1-sulfonamide
CID 19681427
N-[3-(methylamino)cyclobutyl]butane-1-sulfonamide
CID 178076415
4-(methylsulfamoyl)butanoyl iodide
CID 167284890
CID 175918224
CID 175918224
butane-1-sulfonamide;dihydrochloride
CID 140980497
1-butylsulfonyl-N-methylmethanamine
CID 163574790
N-(2-sulfamoylethyl)butane-1-sulfonamide
CID 61131734
N-[2-(propylamino)ethyl]butane-1-sulfonamide
CID 62663882

Frequently Asked Questions

What is the IUPAC name of N-methylbutane-1-sulfonamide;hydrochloride?
The IUPAC name of N-methylbutane-1-sulfonamide;hydrochloride (CID 141278218) is N-methylbutane-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-methylbutane-1-sulfonamide;hydrochloride?
The canonical SMILES for N-methylbutane-1-sulfonamide;hydrochloride is CCCCS(=O)(=O)NC.Cl.
What is the InChIKey of N-methylbutane-1-sulfonamide;hydrochloride?
The InChIKey is CAUVIJWGSPGRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S.ClH/c1-3-4-5-9(7,8)6-2;/h6H,3-5H2,1-2H3;1H.
What are the key properties of N-methylbutane-1-sulfonamide;hydrochloride?
N-methylbutane-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-methylbutane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 141278218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).