2-[1-[cyclohexyl(methyl)sulfamoyl]piperidin-3-yl]acetic acid

C14H26N2O4S — CID 62690776

IUPAC2-[1-[cyclohexyl(methyl)sulfamoyl]piperidin-3-yl]acetic acid
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCCC(CC(=O)O)C1
InChIInChI=1S/C14H26N2O4S/c1-15(13-7-3-2-4-8-13)21(19,20)16-9-5-6-12(11-16)10-14(17)18/h12-13H,2-11H2,1H3,(H,17,18)
InChIKeyFZXAOKUCUWZDMP-UHFFFAOYSA-N
MW318.44 g/mol
LogP1.68
Rot. Bonds5

About 2-[1-[cyclohexyl(methyl)sulfamoyl]piperidin-3-yl]acetic acid

2-[1-[cyclohexyl(methyl)sulfamoyl]piperidin-3-yl]acetic acid (PubChem CID 62690776) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is 2-[1-[cyclohexyl(methyl)sulfamoyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[cyclohexyl(methyl)sulfamoyl]piperidin-3-yl]acetic acid
PubChem CID62690776
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC Name2-[1-[cyclohexyl(methyl)sulfamoyl]piperidin-3-yl]acetic acid
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCCC(CC(=O)O)C1
InChIInChI=1S/C14H26N2O4S/c1-15(13-7-3-2-4-8-13)21(19,20)16-9-5-6-12(11-16)10-14(17)18/h12-13H,2-11H2,1H3,(H,17,18)
InChIKeyFZXAOKUCUWZDMP-UHFFFAOYSA-N
XLogP1.68
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-3-carboxylic acid
CID 63030973
3-(aminomethyl)-N-cyclohexyl-N-methylpyrrolidine-1-sulfonamide;hydrochloride
CID 119971798
N-cyclohexyl-N-methyl-3-(methylaminomethyl)pyrrolidine-1-sulfonamide
CID 63263786
2-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]acetic acid
CID 62690107
N-cyclohexyl-4-hydroxy-N,3-dimethylpiperidine-1-sulfonamide
CID 114680633
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
1-[1-[cyclohexyl(methyl)sulfamoyl]piperidine-3-carbonyl]piperidine-4-carboxamide
CID 22552859
3-[[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]amino]propanoic acid
CID 122019342
2-[1-[(4-ethylphenyl)methylsulfonyl]piperidin-3-yl]acetic acid
CID 136533146
2-[1-[cyclopentyl(ethyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62691355
2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]acetic acid
CID 55105621
2-[1-(azepan-1-ylsulfonyl)azetidin-3-yl]acetic acid
CID 64617232

Frequently Asked Questions

What is the IUPAC name of 2-[1-[cyclohexyl(methyl)sulfamoyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[cyclohexyl(methyl)sulfamoyl]piperidin-3-yl]acetic acid (CID 62690776) is 2-[1-[cyclohexyl(methyl)sulfamoyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[cyclohexyl(methyl)sulfamoyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[cyclohexyl(methyl)sulfamoyl]piperidin-3-yl]acetic acid is CN(C1CCCCC1)S(=O)(=O)N1CCCC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[cyclohexyl(methyl)sulfamoyl]piperidin-3-yl]acetic acid?
The InChIKey is FZXAOKUCUWZDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-15(13-7-3-2-4-8-13)21(19,20)16-9-5-6-12(11-16)10-14(17)18/h12-13H,2-11H2,1H3,(H,17,18).
What are the key properties of 2-[1-[cyclohexyl(methyl)sulfamoyl]piperidin-3-yl]acetic acid?
2-[1-[cyclohexyl(methyl)sulfamoyl]piperidin-3-yl]acetic acid has a molecular weight of 318.44 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[cyclohexyl(methyl)sulfamoyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 62690776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).