1-(1-benzylsulfonylpiperidin-4-yl)-3-cyclohexylurea

C19H29N3O3S — CID 645563

IUPAC1-(1-benzylsulfonylpiperidin-4-yl)-3-cyclohexylurea
SMILESO=C(NC1CCCCC1)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C19H29N3O3S/c23-19(20-17-9-5-2-6-10-17)21-18-11-13-22(14-12-18)26(24,25)15-16-7-3-1-4-8-16/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H2,20,21,23)
InChIKeyCPZQYGGTZCHHPW-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.61
Rot. Bonds5

About 1-(1-benzylsulfonylpiperidin-4-yl)-3-cyclohexylurea

1-(1-benzylsulfonylpiperidin-4-yl)-3-cyclohexylurea (PubChem CID 645563) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is 1-(1-benzylsulfonylpiperidin-4-yl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(1-benzylsulfonylpiperidin-4-yl)-3-cyclohexylurea
PubChem CID645563
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name1-(1-benzylsulfonylpiperidin-4-yl)-3-cyclohexylurea
SMILESO=C(NC1CCCCC1)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C19H29N3O3S/c23-19(20-17-9-5-2-6-10-17)21-18-11-13-22(14-12-18)26(24,25)15-16-7-3-1-4-8-16/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H2,20,21,23)
InChIKeyCPZQYGGTZCHHPW-UHFFFAOYSA-N
XLogP2.61
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Glycyclamide
CID 12628
4-(2-((Cyclohexylcarbamoyl)amino)ethyl)benzenesulfonamide
CID 841429
3-[4-(3,5-Difluorophenyl)cyclohexyl]-1-(1-ethylsulfonylpiperidin-4-yl)-1-methylurea
CID 10203845
(3R)-N-[(2S,3R)-2,3-diphenylcyclopropyl]-3-(methanesulfonamido)piperidine-1-carboxamide
CID 118728608
1-[1-[4-[Benzenesulfonyl(methyl)amino]-3-phenyl-butyl]-4-piperidyl]-3-methyl-urea
CID 478439
1-Methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea
CID 10111188
3-[4-(3,5-Difluorophenyl)cyclohexyl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
CID 10159722
1-(4-Phenylbutyl)-3-piperidin-4-ylurea
CID 154665761
1-Benzylsulfonyl-3-butylurea
CID 234307
Benzenesulfonamide, N-[4-[4-[ethyl[(methylamino)carbonyl]amino]-1-piperidinyl]-2-phenylbutyl]-N-methyl-
CID 486608
N-cyclohexyl-2-(2-phenylethylamino)ethanesulfonamide
CID 45479967
3-{[(benzylsulfonyl)amino]methyl}-N-(2-phenylethyl)piperidine-1-carboxamide
CID 16189502

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylsulfonylpiperidin-4-yl)-3-cyclohexylurea?
The IUPAC name of 1-(1-benzylsulfonylpiperidin-4-yl)-3-cyclohexylurea (CID 645563) is 1-(1-benzylsulfonylpiperidin-4-yl)-3-cyclohexylurea.
What is the SMILES notation for 1-(1-benzylsulfonylpiperidin-4-yl)-3-cyclohexylurea?
The canonical SMILES for 1-(1-benzylsulfonylpiperidin-4-yl)-3-cyclohexylurea is O=C(NC1CCCCC1)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylsulfonylpiperidin-4-yl)-3-cyclohexylurea?
The InChIKey is CPZQYGGTZCHHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c23-19(20-17-9-5-2-6-10-17)21-18-11-13-22(14-12-18)26(24,25)15-16-7-3-1-4-8-16/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H2,20,21,23).
What are the key properties of 1-(1-benzylsulfonylpiperidin-4-yl)-3-cyclohexylurea?
1-(1-benzylsulfonylpiperidin-4-yl)-3-cyclohexylurea has a molecular weight of 379.53 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylsulfonylpiperidin-4-yl)-3-cyclohexylurea is sourced from PubChem (CID 645563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).