1-(4-hydroxycyclohexyl)-3-(1-methylsulfonylpiperidin-4-yl)urea

C13H25N3O4S — CID 51083471

IUPAC1-(4-hydroxycyclohexyl)-3-(1-methylsulfonylpiperidin-4-yl)urea
SMILESCS(=O)(=O)N1CCC(NC(=O)NC2CCC(O)CC2)CC1
InChIInChI=1S/C13H25N3O4S/c1-21(19,20)16-8-6-11(7-9-16)15-13(18)14-10-2-4-12(17)5-3-10/h10-12,17H,2-9H2,1H3,(H2,14,15,18)
InChIKeyIBLHGYZJKNQOGR-UHFFFAOYSA-N
MW319.43 g/mol
LogP0.01
Rot. Bonds3

About 1-(4-hydroxycyclohexyl)-3-(1-methylsulfonylpiperidin-4-yl)urea

1-(4-hydroxycyclohexyl)-3-(1-methylsulfonylpiperidin-4-yl)urea (PubChem CID 51083471) has the molecular formula C13H25N3O4S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-(1-methylsulfonylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-(1-methylsulfonylpiperidin-4-yl)urea
PubChem CID51083471
Molecular FormulaC13H25N3O4S
Molecular Weight319.43 g/mol
Exact Mass319.16
IUPAC Name1-(4-hydroxycyclohexyl)-3-(1-methylsulfonylpiperidin-4-yl)urea
SMILESCS(=O)(=O)N1CCC(NC(=O)NC2CCC(O)CC2)CC1
InChIInChI=1S/C13H25N3O4S/c1-21(19,20)16-8-6-11(7-9-16)15-13(18)14-10-2-4-12(17)5-3-10/h10-12,17H,2-9H2,1H3,(H2,14,15,18)
InChIKeyIBLHGYZJKNQOGR-UHFFFAOYSA-N
XLogP0.01
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-(1-methylsulfonylpiperidin-4-yl)urea?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-(1-methylsulfonylpiperidin-4-yl)urea (CID 51083471) is 1-(4-hydroxycyclohexyl)-3-(1-methylsulfonylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-(1-methylsulfonylpiperidin-4-yl)urea?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-(1-methylsulfonylpiperidin-4-yl)urea is CS(=O)(=O)N1CCC(NC(=O)NC2CCC(O)CC2)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-(1-methylsulfonylpiperidin-4-yl)urea?
The InChIKey is IBLHGYZJKNQOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4S/c1-21(19,20)16-8-6-11(7-9-16)15-13(18)14-10-2-4-12(17)5-3-10/h10-12,17H,2-9H2,1H3,(H2,14,15,18).
What are the key properties of 1-(4-hydroxycyclohexyl)-3-(1-methylsulfonylpiperidin-4-yl)urea?
1-(4-hydroxycyclohexyl)-3-(1-methylsulfonylpiperidin-4-yl)urea has a molecular weight of 319.43 g/mol, XLogP of 0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-(1-methylsulfonylpiperidin-4-yl)urea is sourced from PubChem (CID 51083471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).