1-cyclohexyl-3-(3-methoxypiperidin-1-yl)sulfonylurea

C13H25N3O4S — CID 134115053

IUPAC1-cyclohexyl-3-(3-methoxypiperidin-1-yl)sulfonylurea
SMILESCOC1CCCN(S(=O)(=O)NC(=O)NC2CCCCC2)C1
InChIInChI=1S/C13H25N3O4S/c1-20-12-8-5-9-16(10-12)21(18,19)15-13(17)14-11-6-3-2-4-7-11/h11-12H,2-10H2,1H3,(H2,14,15,17)
InChIKeyMBYRBQCLTHHTJI-UHFFFAOYSA-N
MW319.43 g/mol
LogP0.97
Rot. Bonds4

About 1-cyclohexyl-3-(3-methoxypiperidin-1-yl)sulfonylurea

1-cyclohexyl-3-(3-methoxypiperidin-1-yl)sulfonylurea (PubChem CID 134115053) has the molecular formula C13H25N3O4S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3-methoxypiperidin-1-yl)sulfonylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-(3-methoxypiperidin-1-yl)sulfonylurea
PubChem CID134115053
Molecular FormulaC13H25N3O4S
Molecular Weight319.43 g/mol
Exact Mass319.16
IUPAC Name1-cyclohexyl-3-(3-methoxypiperidin-1-yl)sulfonylurea
SMILESCOC1CCCN(S(=O)(=O)NC(=O)NC2CCCCC2)C1
InChIInChI=1S/C13H25N3O4S/c1-20-12-8-5-9-16(10-12)21(18,19)15-13(17)14-11-6-3-2-4-7-11/h11-12H,2-10H2,1H3,(H2,14,15,17)
InChIKeyMBYRBQCLTHHTJI-UHFFFAOYSA-N
XLogP0.97
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(8-azaspiro[4.5]decan-8-ylsulfonyl)-3-cyclohexylurea
CID 134117155
1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea
CID 94211342
methyl (3S)-1-(methoxycarbonylsulfamoyl)piperidine-3-carboxylate
CID 104929271
1-cyclohexyl-3-(4-phenylpiperazin-1-yl)sulfonylurea
CID 134115013
2-(3-methoxypiperidin-1-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103343565
methyl N-(3-bromopiperidin-1-yl)sulfonylcarbamate
CID 114466569
(1R,6S)-N-piperidin-1-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide
CID 96565229
methyl (3S)-1-(methylsulfamoyl)piperidine-3-carboxylate
CID 104978218
(3S)-N-cyclooctyl-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447237
methyl N-(3-formylpiperidin-1-yl)sulfonylcarbamate
CID 114467155
1-cycloheptyl-3-methoxyurea
CID 126986046
(3S)-N-cycloheptyl-3-methylpiperidine-1-sulfonamide
CID 35431097

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3-methoxypiperidin-1-yl)sulfonylurea?
The IUPAC name of 1-cyclohexyl-3-(3-methoxypiperidin-1-yl)sulfonylurea (CID 134115053) is 1-cyclohexyl-3-(3-methoxypiperidin-1-yl)sulfonylurea.
What is the SMILES notation for 1-cyclohexyl-3-(3-methoxypiperidin-1-yl)sulfonylurea?
The canonical SMILES for 1-cyclohexyl-3-(3-methoxypiperidin-1-yl)sulfonylurea is COC1CCCN(S(=O)(=O)NC(=O)NC2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-3-(3-methoxypiperidin-1-yl)sulfonylurea?
The InChIKey is MBYRBQCLTHHTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4S/c1-20-12-8-5-9-16(10-12)21(18,19)15-13(17)14-11-6-3-2-4-7-11/h11-12H,2-10H2,1H3,(H2,14,15,17).
What are the key properties of 1-cyclohexyl-3-(3-methoxypiperidin-1-yl)sulfonylurea?
1-cyclohexyl-3-(3-methoxypiperidin-1-yl)sulfonylurea has a molecular weight of 319.43 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3-methoxypiperidin-1-yl)sulfonylurea is sourced from PubChem (CID 134115053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).