1-(1-methylcyclohexyl)-3-piperidin-1-ylsulfonylurea

C13H25N3O3S — CID 134126330

IUPAC1-(1-methylcyclohexyl)-3-piperidin-1-ylsulfonylurea
SMILESCC1(NC(=O)NS(=O)(=O)N2CCCCC2)CCCCC1
InChIInChI=1S/C13H25N3O3S/c1-13(8-4-2-5-9-13)14-12(17)15-20(18,19)16-10-6-3-7-11-16/h2-11H2,1H3,(H2,14,15,17)
InChIKeyKWKHTZGWJZUPEP-UHFFFAOYSA-N
MW303.43 g/mol
LogP1.74
Rot. Bonds3

About 1-(1-methylcyclohexyl)-3-piperidin-1-ylsulfonylurea

1-(1-methylcyclohexyl)-3-piperidin-1-ylsulfonylurea (PubChem CID 134126330) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-(1-methylcyclohexyl)-3-piperidin-1-ylsulfonylurea.

Molecular Properties

Compound Name1-(1-methylcyclohexyl)-3-piperidin-1-ylsulfonylurea
PubChem CID134126330
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Name1-(1-methylcyclohexyl)-3-piperidin-1-ylsulfonylurea
SMILESCC1(NC(=O)NS(=O)(=O)N2CCCCC2)CCCCC1
InChIInChI=1S/C13H25N3O3S/c1-13(8-4-2-5-9-13)14-12(17)15-20(18,19)16-10-6-3-7-11-16/h2-11H2,1H3,(H2,14,15,17)
InChIKeyKWKHTZGWJZUPEP-UHFFFAOYSA-N
XLogP1.74
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-piperidin-1-ylsulfonylacetamide
CID 59405916
1,3-bis(8-azaspiro[4.5]decan-8-ylsulfonyl)urea
CID 134126333
propan-2-yl N-(azepan-1-ylsulfonyl)carbamate
CID 114463100
N-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]acetamide;N-piperidin-1-ylsulfonylacetamide
CID 159894049
(3S)-1-(dimethylsulfamoyl)-N-(1-methylcyclohexyl)piperidine-3-carboxamide
CID 95877591
1-(8-azaspiro[4.5]decan-8-ylsulfonyl)-3-cyclohexylurea
CID 134117155
methyl N-(4,4-difluoropiperidin-1-yl)sulfonylcarbamate
CID 168931490
1-(azepan-1-ylsulfonyl)-2-methylpiperidine-2-carboxylic acid
CID 104595620
1-(4-fluorophenyl)-N-piperidin-1-ylsulfonylcyclopentane-1-carboxamide
CID 75479820
1-(methoxycarbonylsulfamoyl)-2-methylpiperidine-2-carboxylic acid
CID 114463047
1-piperazin-1-ylsulfonyl-3-propan-2-ylurea
CID 170311112
1-cyclopentyl-3-(1-methylcyclohexyl)urea
CID 115631040

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclohexyl)-3-piperidin-1-ylsulfonylurea?
The IUPAC name of 1-(1-methylcyclohexyl)-3-piperidin-1-ylsulfonylurea (CID 134126330) is 1-(1-methylcyclohexyl)-3-piperidin-1-ylsulfonylurea.
What is the SMILES notation for 1-(1-methylcyclohexyl)-3-piperidin-1-ylsulfonylurea?
The canonical SMILES for 1-(1-methylcyclohexyl)-3-piperidin-1-ylsulfonylurea is CC1(NC(=O)NS(=O)(=O)N2CCCCC2)CCCCC1.
What is the InChIKey of 1-(1-methylcyclohexyl)-3-piperidin-1-ylsulfonylurea?
The InChIKey is KWKHTZGWJZUPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-13(8-4-2-5-9-13)14-12(17)15-20(18,19)16-10-6-3-7-11-16/h2-11H2,1H3,(H2,14,15,17).
What are the key properties of 1-(1-methylcyclohexyl)-3-piperidin-1-ylsulfonylurea?
1-(1-methylcyclohexyl)-3-piperidin-1-ylsulfonylurea has a molecular weight of 303.43 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclohexyl)-3-piperidin-1-ylsulfonylurea is sourced from PubChem (CID 134126330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).