4-[[cyclohexyl(methyl)sulfamoyl]-propan-2-ylamino]butanoic acid

C14H28N2O4S — CID 60828293

IUPAC4-[[cyclohexyl(methyl)sulfamoyl]-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)S(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C14H28N2O4S/c1-12(2)16(11-7-10-14(17)18)21(19,20)15(3)13-8-5-4-6-9-13/h12-13H,4-11H2,1-3H3,(H,17,18)
InChIKeyFQOKHNREWXIUPA-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.07
Rot. Bonds8

About 4-[[cyclohexyl(methyl)sulfamoyl]-propan-2-ylamino]butanoic acid

4-[[cyclohexyl(methyl)sulfamoyl]-propan-2-ylamino]butanoic acid (PubChem CID 60828293) has the molecular formula C14H28N2O4S and a molecular weight of 320.46 g/mol. Its IUPAC name is 4-[[cyclohexyl(methyl)sulfamoyl]-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[[cyclohexyl(methyl)sulfamoyl]-propan-2-ylamino]butanoic acid
PubChem CID60828293
Molecular FormulaC14H28N2O4S
Molecular Weight320.46 g/mol
Exact Mass320.18
IUPAC Name4-[[cyclohexyl(methyl)sulfamoyl]-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)S(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C14H28N2O4S/c1-12(2)16(11-7-10-14(17)18)21(19,20)15(3)13-8-5-4-6-9-13/h12-13H,4-11H2,1-3H3,(H,17,18)
InChIKeyFQOKHNREWXIUPA-UHFFFAOYSA-N
XLogP2.07
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[Cyclohexyl(methyl)sulfamoyl]-methylamino]butanoic acid
CID 43361576
2-[Cyclohexyl(sulfo)amino]butanoic acid
CID 90941699
4-(Cyclohexylmethylamino)butanoic acid
CID 20985389
4-[Cyclohexyl(sulfo)amino]-4-hydroxybutanoic acid
CID 118389856
(2S)-2-amino-4-[cyclohexyl(sulfamoyl)amino]butanoic acid
CID 174670459
2-Amino-4-[cyclohexyl(sulfamoyl)amino]butanoic acid
CID 174670460
4-[Cyclohexyl(ethyl)amino]butanoic acid
CID 20985425
4-[Methyl(1-piperidinylsulfonyl)amino]butanoic acid
CID 43151881
4-[Diethylsulfamoyl(methyl)amino]butanoic acid
CID 43151882
4-[(2-Methylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 43210777
1-[Cyclohexyl(methyl)sulfamoyl]piperidine-4-carboxylic acid
CID 43245120
4-[Methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 43329697

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclohexyl(methyl)sulfamoyl]-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[[cyclohexyl(methyl)sulfamoyl]-propan-2-ylamino]butanoic acid (CID 60828293) is 4-[[cyclohexyl(methyl)sulfamoyl]-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[[cyclohexyl(methyl)sulfamoyl]-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[[cyclohexyl(methyl)sulfamoyl]-propan-2-ylamino]butanoic acid is CC(C)N(CCCC(=O)O)S(=O)(=O)N(C)C1CCCCC1.
What is the InChIKey of 4-[[cyclohexyl(methyl)sulfamoyl]-propan-2-ylamino]butanoic acid?
The InChIKey is FQOKHNREWXIUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4S/c1-12(2)16(11-7-10-14(17)18)21(19,20)15(3)13-8-5-4-6-9-13/h12-13H,4-11H2,1-3H3,(H,17,18).
What are the key properties of 4-[[cyclohexyl(methyl)sulfamoyl]-propan-2-ylamino]butanoic acid?
4-[[cyclohexyl(methyl)sulfamoyl]-propan-2-ylamino]butanoic acid has a molecular weight of 320.46 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclohexyl(methyl)sulfamoyl]-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 60828293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).