N-(3-hydroxybutyl)propane-1-sulfonamide

C7H17NO3S — CID 64723570

IUPACN-(3-hydroxybutyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCC(C)O
InChIInChI=1S/C7H17NO3S/c1-3-6-12(10,11)8-5-4-7(2)9/h7-9H,3-6H2,1-2H3
InChIKeyLDEOEKUTVYBZNE-UHFFFAOYSA-N
MW195.28 g/mol
LogP0.09
Rot. Bonds6

About N-(3-hydroxybutyl)propane-1-sulfonamide

N-(3-hydroxybutyl)propane-1-sulfonamide (PubChem CID 64723570) has the molecular formula C7H17NO3S and a molecular weight of 195.28 g/mol. Its IUPAC name is N-(3-hydroxybutyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)propane-1-sulfonamide
PubChem CID64723570
Molecular FormulaC7H17NO3S
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC NameN-(3-hydroxybutyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCC(C)O
InChIInChI=1S/C7H17NO3S/c1-3-6-12(10,11)8-5-4-7(2)9/h7-9H,3-6H2,1-2H3
InChIKeyLDEOEKUTVYBZNE-UHFFFAOYSA-N
XLogP0.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxybutyl)-2-methylsulfonylethanesulfonamide
CID 64911861
methyl 3-(3-hydroxybutylsulfamoyl)propanoate
CID 64912074
4-(3-hydroxybutylsulfamoyl)butanoic acid
CID 64928300
(3S)-3-hydroxy-1-(sulfamoylamino)butane
CID 130638479
N-(4-hydroxypentyl)-3-methylbutane-1-sulfonamide
CID 107271294
2-(2-aminophenyl)sulfanyl-N-(3-hydroxybutyl)ethanesulfonamide
CID 64927625
N-[3-(4-fluorophenyl)-3-hydroxypropyl]propane-1-sulfonamide
CID 110665794
1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxybutane
CID 64912910
N-[2-(ethylsulfamoyl)ethyl]-4-hydroxypentanamide
CID 106342894
N-[3-(furan-2-yl)-3-hydroxypropyl]propane-1-sulfonamide
CID 90523800
5-(propylsulfamoylamino)pentan-2-ol
CID 106125663
N-[(2R,3R)-2-hydroxy-3-methylpentyl]propane-1-sulfonamide
CID 95633247

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)propane-1-sulfonamide?
The IUPAC name of N-(3-hydroxybutyl)propane-1-sulfonamide (CID 64723570) is N-(3-hydroxybutyl)propane-1-sulfonamide.
What is the SMILES notation for N-(3-hydroxybutyl)propane-1-sulfonamide?
The canonical SMILES for N-(3-hydroxybutyl)propane-1-sulfonamide is CCCS(=O)(=O)NCCC(C)O.
What is the InChIKey of N-(3-hydroxybutyl)propane-1-sulfonamide?
The InChIKey is LDEOEKUTVYBZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3S/c1-3-6-12(10,11)8-5-4-7(2)9/h7-9H,3-6H2,1-2H3.
What are the key properties of N-(3-hydroxybutyl)propane-1-sulfonamide?
N-(3-hydroxybutyl)propane-1-sulfonamide has a molecular weight of 195.28 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)propane-1-sulfonamide is sourced from PubChem (CID 64723570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).