4-[[cyclohexyl(methyl)sulfamoyl]-methylamino]butanoic acid

C12H24N2O4S — CID 43361576

IUPAC4-[[cyclohexyl(methyl)sulfamoyl]-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)S(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C12H24N2O4S/c1-13(10-6-9-12(15)16)19(17,18)14(2)11-7-4-3-5-8-11/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyKEXGZHCFAKBZDZ-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.29
Rot. Bonds7

About 4-[[cyclohexyl(methyl)sulfamoyl]-methylamino]butanoic acid

4-[[cyclohexyl(methyl)sulfamoyl]-methylamino]butanoic acid (PubChem CID 43361576) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-[[cyclohexyl(methyl)sulfamoyl]-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[[cyclohexyl(methyl)sulfamoyl]-methylamino]butanoic acid
PubChem CID43361576
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name4-[[cyclohexyl(methyl)sulfamoyl]-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)S(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C12H24N2O4S/c1-13(10-6-9-12(15)16)19(17,18)14(2)11-7-4-3-5-8-11/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyKEXGZHCFAKBZDZ-UHFFFAOYSA-N
XLogP1.29
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[Methyl(1-piperidinylsulfonyl)amino]butanoic acid
CID 43151881
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
4-[Azepan-1-ylsulfonyl(methyl)amino]butanoic acid
CID 43329699
4-[[Cyclohexyl(methyl)sulfamoyl]amino]butanoic acid
CID 43361165
4-[[Butyl(methyl)sulfamoyl]-methylamino]butanoic acid
CID 43361577
3-[[Cyclohexyl(methyl)sulfamoyl]amino]butanoic acid
CID 43361692
2-[[Cyclohexyl(methyl)sulfamoyl]amino]butanoic acid
CID 43470030
4-[Piperidin-1-ylsulfonyl(propan-2-yl)amino]butanoic acid
CID 54925782
4-[[Methyl(propan-2-yl)sulfamoyl]-propan-2-ylamino]butanoic acid
CID 54947353
3-[[Cyclohexyl(methyl)sulfamoyl]-methylamino]-2-methylpropanoic acid
CID 55008468

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclohexyl(methyl)sulfamoyl]-methylamino]butanoic acid?
The IUPAC name of 4-[[cyclohexyl(methyl)sulfamoyl]-methylamino]butanoic acid (CID 43361576) is 4-[[cyclohexyl(methyl)sulfamoyl]-methylamino]butanoic acid.
What is the SMILES notation for 4-[[cyclohexyl(methyl)sulfamoyl]-methylamino]butanoic acid?
The canonical SMILES for 4-[[cyclohexyl(methyl)sulfamoyl]-methylamino]butanoic acid is CN(CCCC(=O)O)S(=O)(=O)N(C)C1CCCCC1.
What is the InChIKey of 4-[[cyclohexyl(methyl)sulfamoyl]-methylamino]butanoic acid?
The InChIKey is KEXGZHCFAKBZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-13(10-6-9-12(15)16)19(17,18)14(2)11-7-4-3-5-8-11/h11H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 4-[[cyclohexyl(methyl)sulfamoyl]-methylamino]butanoic acid?
4-[[cyclohexyl(methyl)sulfamoyl]-methylamino]butanoic acid has a molecular weight of 292.40 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclohexyl(methyl)sulfamoyl]-methylamino]butanoic acid is sourced from PubChem (CID 43361576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).