1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxybutane

C9H22N2O3S — CID 64912910

IUPAC1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxybutane
SMILESCCCCN(C)S(=O)(=O)NCCC(C)O
InChIInChI=1S/C9H22N2O3S/c1-4-5-8-11(3)15(13,14)10-7-6-9(2)12/h9-10,12H,4-8H2,1-3H3
InChIKeyLXJYCEFXKJHETI-UHFFFAOYSA-N
MW238.35 g/mol
LogP0.32
Rot. Bonds8

About 1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxybutane

1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxybutane (PubChem CID 64912910) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxybutane.

Molecular Properties

Compound Name1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxybutane
PubChem CID64912910
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC Name1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxybutane
SMILESCCCCN(C)S(=O)(=O)NCCC(C)O
InChIInChI=1S/C9H22N2O3S/c1-4-5-8-11(3)15(13,14)10-7-6-9(2)12/h9-10,12H,4-8H2,1-3H3
InChIKeyLXJYCEFXKJHETI-UHFFFAOYSA-N
XLogP0.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[[butyl(methyl)sulfamoyl]amino]butane
CID 63251281
N-[3-[[butyl(methyl)sulfamoyl]amino]propyl]methanesulfonamide
CID 51078399
4-[[butyl(methyl)sulfamoyl]amino]butanoic acid
CID 43361166
1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2-methylpropane
CID 65113164
1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
CID 106058175
N-(3-hydroxybutyl)propane-1-sulfonamide
CID 64723570
2-amino-1-[[butyl(methyl)sulfamoyl]amino]butane
CID 63730547
4-methyl-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
CID 114137543
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methylpentane
CID 106017119
2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane
CID 79256341
(2S)-2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane
CID 79256086
3-amino-1-[[ethyl(methyl)sulfamoyl]amino]butane
CID 119972420

Frequently Asked Questions

What is the IUPAC name of 1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxybutane?
The IUPAC name of 1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxybutane (CID 64912910) is 1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxybutane.
What is the SMILES notation for 1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxybutane?
The canonical SMILES for 1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxybutane is CCCCN(C)S(=O)(=O)NCCC(C)O.
What is the InChIKey of 1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxybutane?
The InChIKey is LXJYCEFXKJHETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-4-5-8-11(3)15(13,14)10-7-6-9(2)12/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxybutane?
1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxybutane has a molecular weight of 238.35 g/mol, XLogP of 0.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxybutane is sourced from PubChem (CID 64912910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).