4-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid

C14H26N2O4S — CID 79526114

IUPAC4-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCC1CCCN(S(=O)(=O)NCC2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C14H26N2O4S/c1-11-3-2-8-16(10-11)21(19,20)15-9-12-4-6-13(7-5-12)14(17)18/h11-13,15H,2-10H2,1H3,(H,17,18)
InChIKeyXRRUROUOVZNPLC-UHFFFAOYSA-N
MW318.44 g/mol
LogP1.44
Rot. Bonds5

About 4-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid

4-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79526114) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is 4-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79526114
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC Name4-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCC1CCCN(S(=O)(=O)NCC2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C14H26N2O4S/c1-11-3-2-8-16(10-11)21(19,20)15-9-12-4-6-13(7-5-12)14(17)18/h11-13,15H,2-10H2,1H3,(H,17,18)
InChIKeyXRRUROUOVZNPLC-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-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79524896
1-[(4-hydroxycyclohexyl)methylsulfamoyl]piperidine-3-carboxylic acid
CID 106120655
1-(cyclohexylmethylsulfamoyl)piperidine-3-carboxylic acid
CID 60858431
N-[(3-chlorocyclobutyl)methyl]-3-methylpiperidine-1-sulfonamide
CID 66006965
cis-(1R,3S)-3-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 114173287
N-[(3-bromocyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide
CID 106135059
1-[(1-methylpyrrolidin-3-yl)methylsulfamoyl]piperidine-3-carboxylic acid
CID 60859573
methyl 2-[(3-methylpiperidin-1-yl)sulfonylamino]acetate
CID 43431574
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
N-[(3-aminocyclohexyl)methyl]-3-methylpiperidine-1-sulfonamide
CID 106126037
(3S)-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-sulfonamide
CID 39992415

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid (CID 79526114) is 4-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid is CC1CCCN(S(=O)(=O)NCC2CCC(C(=O)O)CC2)C1.
What is the InChIKey of 4-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is XRRUROUOVZNPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-11-3-2-8-16(10-11)21(19,20)15-9-12-4-6-13(7-5-12)14(17)18/h11-13,15H,2-10H2,1H3,(H,17,18).
What are the key properties of 4-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid?
4-[[(3-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-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79526114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).