4-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid

C14H26N2O4S — CID 79524896

IUPAC4-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCC1CCN(S(=O)(=O)NCC2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C14H26N2O4S/c1-11-6-8-16(9-7-11)21(19,20)15-10-12-2-4-13(5-3-12)14(17)18/h11-13,15H,2-10H2,1H3,(H,17,18)
InChIKeyFMOHNKAKIJDDFK-UHFFFAOYSA-N
MW318.44 g/mol
LogP1.44
Rot. Bonds5

About 4-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid

4-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79524896) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is 4-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79524896
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC Name4-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCC1CCN(S(=O)(=O)NCC2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C14H26N2O4S/c1-11-6-8-16(9-7-11)21(19,20)15-10-12-2-4-13(5-3-12)14(17)18/h11-13,15H,2-10H2,1H3,(H,17,18)
InChIKeyFMOHNKAKIJDDFK-UHFFFAOYSA-N
XLogP1.44
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(pyrrolidin-1-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525053
4-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79526114
1-(oxolan-3-ylmethylsulfamoyl)piperidine-4-carboxylic acid
CID 54937723
1-[(2-methoxy-2-oxoethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858730
1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid
CID 5071683
1-[(4-hydroxycyclohexyl)methylsulfamoyl]piperidine-3-carboxylic acid
CID 106120655
4-[(dimethylsulfamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 79526211
N-[(4-hydroxycyclohexyl)methyl]piperidine-1-sulfonamide
CID 114147060
1-(cyclohexylmethylsulfamoyl)piperidine-3-carboxylic acid
CID 60858431
methyl 1-[(3-hydroxycyclopentyl)methylsulfamoyl]piperidine-4-carboxylate
CID 103270312
1-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]piperidine-4-carboxylic acid
CID 60857789
2-hydroxy-2-methyl-3-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid
CID 66174633

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid (CID 79524896) is 4-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid is CC1CCN(S(=O)(=O)NCC2CCC(C(=O)O)CC2)CC1.
What is the InChIKey of 4-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is FMOHNKAKIJDDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-11-6-8-16(9-7-11)21(19,20)15-10-12-2-4-13(5-3-12)14(17)18/h11-13,15H,2-10H2,1H3,(H,17,18).
What are the key properties of 4-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid?
4-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 318.44 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79524896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).