1-[(4-hydroxycyclohexyl)methylsulfamoyl]piperidine-3-carboxylic acid

C13H24N2O5S — CID 106120655

IUPAC1-[(4-hydroxycyclohexyl)methylsulfamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)NCC2CCC(O)CC2)C1
InChIInChI=1S/C13H24N2O5S/c16-12-5-3-10(4-6-12)8-14-21(19,20)15-7-1-2-11(9-15)13(17)18/h10-12,14,16H,1-9H2,(H,17,18)
InChIKeyOYXKGXMUMGPINU-UHFFFAOYSA-N
MW320.41 g/mol
LogP0.17
Rot. Bonds5

About 1-[(4-hydroxycyclohexyl)methylsulfamoyl]piperidine-3-carboxylic acid

1-[(4-hydroxycyclohexyl)methylsulfamoyl]piperidine-3-carboxylic acid (PubChem CID 106120655) has the molecular formula C13H24N2O5S and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-[(4-hydroxycyclohexyl)methylsulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-hydroxycyclohexyl)methylsulfamoyl]piperidine-3-carboxylic acid
PubChem CID106120655
Molecular FormulaC13H24N2O5S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC Name1-[(4-hydroxycyclohexyl)methylsulfamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)NCC2CCC(O)CC2)C1
InChIInChI=1S/C13H24N2O5S/c16-12-5-3-10(4-6-12)8-14-21(19,20)15-7-1-2-11(9-15)13(17)18/h10-12,14,16H,1-9H2,(H,17,18)
InChIKeyOYXKGXMUMGPINU-UHFFFAOYSA-N
XLogP0.17
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclohexylmethylsulfamoyl)piperidine-3-carboxylic acid
CID 60858431
1-[(1-methylpyrrolidin-3-yl)methylsulfamoyl]piperidine-3-carboxylic acid
CID 60859573
N-[(4-hydroxycyclohexyl)methyl]piperidine-1-sulfonamide
CID 114147060
4-[(pyrrolidin-1-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525053
4-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79526114
(3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104978646
1-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]piperidine-3-carboxylic acid
CID 81043349
N-[(3-hydroxycyclopentyl)methyl]pyrrolidine-1-sulfonamide
CID 103270314
1-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]piperidine-3-carboxylic acid
CID 102903673
1-(3,3-dimethylbutylsulfamoyl)piperidine-3-carboxylic acid
CID 113227859
1-(2-methylsulfanylethylsulfamoyl)piperidine-3-carboxylic acid
CID 60858603
1-[3-(methanesulfonamido)propylsulfamoyl]piperidine-3-carboxylic acid
CID 106334906

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxycyclohexyl)methylsulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(4-hydroxycyclohexyl)methylsulfamoyl]piperidine-3-carboxylic acid (CID 106120655) is 1-[(4-hydroxycyclohexyl)methylsulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-hydroxycyclohexyl)methylsulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-hydroxycyclohexyl)methylsulfamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(S(=O)(=O)NCC2CCC(O)CC2)C1.
What is the InChIKey of 1-[(4-hydroxycyclohexyl)methylsulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is OYXKGXMUMGPINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5S/c16-12-5-3-10(4-6-12)8-14-21(19,20)15-7-1-2-11(9-15)13(17)18/h10-12,14,16H,1-9H2,(H,17,18).
What are the key properties of 1-[(4-hydroxycyclohexyl)methylsulfamoyl]piperidine-3-carboxylic acid?
1-[(4-hydroxycyclohexyl)methylsulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 320.41 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxycyclohexyl)methylsulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 106120655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).