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

C9H20N2O4S — CID 65222293

IUPAC2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]butanoic acid
SMILESCCC(CNS(=O)(=O)N(C)C(C)C)C(=O)O
InChIInChI=1S/C9H20N2O4S/c1-5-8(9(12)13)6-10-16(14,15)11(4)7(2)3/h7-8,10H,5-6H2,1-4H3,(H,12,13)
InChIKeyKPEHQPXDKFLVHT-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.27
Rot. Bonds7

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

2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]butanoic acid (PubChem CID 65222293) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]butanoic acid
PubChem CID65222293
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]butanoic acid
SMILESCCC(CNS(=O)(=O)N(C)C(C)C)C(=O)O
InChIInChI=1S/C9H20N2O4S/c1-5-8(9(12)13)6-10-16(14,15)11(4)7(2)3/h7-8,10H,5-6H2,1-4H3,(H,12,13)
InChIKeyKPEHQPXDKFLVHT-UHFFFAOYSA-N
XLogP0.27
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]butanoic acid?
The IUPAC name of 2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]butanoic acid (CID 65222293) is 2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]butanoic acid is CCC(CNS(=O)(=O)N(C)C(C)C)C(=O)O.
What is the InChIKey of 2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]butanoic acid?
The InChIKey is KPEHQPXDKFLVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-5-8(9(12)13)6-10-16(14,15)11(4)7(2)3/h7-8,10H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]butanoic acid?
2-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]butanoic acid has a molecular weight of 252.34 g/mol, XLogP of 0.27, 7 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]methyl]butanoic acid is sourced from PubChem (CID 65222293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).