2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid

C8H18N2O4S — CID 61455877

IUPAC2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
SMILESCCC(NS(=O)(=O)N(C)C(C)C)C(=O)O
InChIInChI=1S/C8H18N2O4S/c1-5-7(8(11)12)9-15(13,14)10(4)6(2)3/h6-7,9H,5H2,1-4H3,(H,11,12)
InChIKeyNRKJSOZOXRDXPK-UHFFFAOYSA-N
MW238.31 g/mol
LogP0.02
Rot. Bonds6

About 2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid

2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid (PubChem CID 61455877) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
PubChem CID61455877
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Name2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
SMILESCCC(NS(=O)(=O)N(C)C(C)C)C(=O)O
InChIInChI=1S/C8H18N2O4S/c1-5-7(8(11)12)9-15(13,14)10(4)6(2)3/h6-7,9H,5H2,1-4H3,(H,11,12)
InChIKeyNRKJSOZOXRDXPK-UHFFFAOYSA-N
XLogP0.02
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
CID 104933802
(2S)-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanoic acid
CID 54947569
2-(dipropylsulfamoylamino)butanoic acid
CID 43470036
(2R)-1-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 103918549
2-(dimethylsulfamoylamino)pentanoic acid
CID 43631196
2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanethioamide
CID 61454058
(2R)-1-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]propane
CID 79028078
(2R)-2-(butylsulfonylamino)butanoic acid
CID 42255264
2-[2-[methyl(propan-2-yl)amino]ethylamino]butanoic acid
CID 64667381
2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
CID 114462104
(2S)-1-hydroxy-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 79255703
2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
CID 79793406

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid?
The IUPAC name of 2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid (CID 61455877) is 2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid.
What is the SMILES notation for 2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid?
The canonical SMILES for 2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid is CCC(NS(=O)(=O)N(C)C(C)C)C(=O)O.
What is the InChIKey of 2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid?
The InChIKey is NRKJSOZOXRDXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-5-7(8(11)12)9-15(13,14)10(4)6(2)3/h6-7,9H,5H2,1-4H3,(H,11,12).
What are the key properties of 2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid?
2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid has a molecular weight of 238.31 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid is sourced from PubChem (CID 61455877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).