2-[[cyclohexyl(methyl)sulfamoyl]amino]-3-methylpentanoic acid

C13H26N2O4S — CID 43172836

IUPAC2-[[cyclohexyl(methyl)sulfamoyl]amino]-3-methylpentanoic acid
SMILESCCC(C)C(NS(=O)(=O)N(C)C1CCCCC1)C(=O)O
InChIInChI=1S/C13H26N2O4S/c1-4-10(2)12(13(16)17)14-20(18,19)15(3)11-8-6-5-7-9-11/h10-12,14H,4-9H2,1-3H3,(H,16,17)
InChIKeyIAPDBONEKCUEPZ-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.58
Rot. Bonds7

About 2-[[cyclohexyl(methyl)sulfamoyl]amino]-3-methylpentanoic acid

2-[[cyclohexyl(methyl)sulfamoyl]amino]-3-methylpentanoic acid (PubChem CID 43172836) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-[[cyclohexyl(methyl)sulfamoyl]amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[[cyclohexyl(methyl)sulfamoyl]amino]-3-methylpentanoic acid
PubChem CID43172836
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC Name2-[[cyclohexyl(methyl)sulfamoyl]amino]-3-methylpentanoic acid
SMILESCCC(C)C(NS(=O)(=O)N(C)C1CCCCC1)C(=O)O
InChIInChI=1S/C13H26N2O4S/c1-4-10(2)12(13(16)17)14-20(18,19)15(3)11-8-6-5-7-9-11/h10-12,14H,4-9H2,1-3H3,(H,16,17)
InChIKeyIAPDBONEKCUEPZ-UHFFFAOYSA-N
XLogP1.58
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[cyclohexyl(methyl)sulfamoyl]amino]pentanoic acid
CID 93252484
(2S)-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanoic acid
CID 54947569
2-(cyclopentylsulfonylamino)-3-methylpentanoic acid
CID 105360683
2-[[cyclohexyl(methyl)sulfamoyl]amino]-N,N,4-trimethylpentanamide
CID 47034956
(2S)-3-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 104977898
[(1-hydroxy-4-methylpentan-2-yl)sulfamoyl-methylamino]cyclohexane
CID 61247247
(2S)-3-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid
CID 61173835
2-(cyclooctanecarbonylamino)-3-methylpentanoic acid
CID 65019151
(2S,3S)-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)pentanoic acid
CID 28784129
(2S,3S)-2-(azetidin-1-ylsulfonylamino)-3-methylpentanoic acid
CID 122069875
(2S)-2-[[cyclopropyl(methyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61196193
2-(cyclohexylcarbamoylamino)-3-methylpentanoic acid
CID 4269687

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexyl(methyl)sulfamoyl]amino]-3-methylpentanoic acid?
The IUPAC name of 2-[[cyclohexyl(methyl)sulfamoyl]amino]-3-methylpentanoic acid (CID 43172836) is 2-[[cyclohexyl(methyl)sulfamoyl]amino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[[cyclohexyl(methyl)sulfamoyl]amino]-3-methylpentanoic acid?
The canonical SMILES for 2-[[cyclohexyl(methyl)sulfamoyl]amino]-3-methylpentanoic acid is CCC(C)C(NS(=O)(=O)N(C)C1CCCCC1)C(=O)O.
What is the InChIKey of 2-[[cyclohexyl(methyl)sulfamoyl]amino]-3-methylpentanoic acid?
The InChIKey is IAPDBONEKCUEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-4-10(2)12(13(16)17)14-20(18,19)15(3)11-8-6-5-7-9-11/h10-12,14H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[[cyclohexyl(methyl)sulfamoyl]amino]-3-methylpentanoic acid?
2-[[cyclohexyl(methyl)sulfamoyl]amino]-3-methylpentanoic acid has a molecular weight of 306.43 g/mol, XLogP of 1.58, 7 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]-3-methylpentanoic acid is sourced from PubChem (CID 43172836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).