2-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid

C11H22N2O4S — CID 43470030

IUPAC2-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid
SMILESCCC(NS(=O)(=O)N(C)C1CCCCC1)C(=O)O
InChIInChI=1S/C11H22N2O4S/c1-3-10(11(14)15)12-18(16,17)13(2)9-7-5-4-6-8-9/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyLTTXGUXBXNAPFM-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.95
Rot. Bonds6

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

2-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid (PubChem CID 43470030) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid
PubChem CID43470030
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name2-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid
SMILESCCC(NS(=O)(=O)N(C)C1CCCCC1)C(=O)O
InChIInChI=1S/C11H22N2O4S/c1-3-10(11(14)15)12-18(16,17)13(2)9-7-5-4-6-8-9/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyLTTXGUXBXNAPFM-UHFFFAOYSA-N
XLogP0.95
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid?
The IUPAC name of 2-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid (CID 43470030) is 2-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid.
What is the SMILES notation for 2-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid?
The canonical SMILES for 2-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid is CCC(NS(=O)(=O)N(C)C1CCCCC1)C(=O)O.
What is the InChIKey of 2-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid?
The InChIKey is LTTXGUXBXNAPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-3-10(11(14)15)12-18(16,17)13(2)9-7-5-4-6-8-9/h9-10,12H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid?
2-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid has a molecular weight of 278.37 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexyl(methyl)sulfamoyl]amino]butanoic acid is sourced from PubChem (CID 43470030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).