1-cyclohexyl-3-piperidin-1-ylsulfonylurea

C12H23N3O3S — CID 90680220

IUPAC1-cyclohexyl-3-piperidin-1-ylsulfonylurea
SMILESO=C(NC1CCCCC1)NS(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H23N3O3S/c16-12(13-11-7-3-1-4-8-11)14-19(17,18)15-9-5-2-6-10-15/h11H,1-10H2,(H2,13,14,16)
InChIKeyPQCOTGSSZGVSOL-UHFFFAOYSA-N
MW289.40 g/mol
LogP1.35
Rot. Bonds3

About 1-cyclohexyl-3-piperidin-1-ylsulfonylurea

1-cyclohexyl-3-piperidin-1-ylsulfonylurea (PubChem CID 90680220) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-cyclohexyl-3-piperidin-1-ylsulfonylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-piperidin-1-ylsulfonylurea
PubChem CID90680220
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC Name1-cyclohexyl-3-piperidin-1-ylsulfonylurea
SMILESO=C(NC1CCCCC1)NS(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H23N3O3S/c16-12(13-11-7-3-1-4-8-11)14-19(17,18)15-9-5-2-6-10-15/h11H,1-10H2,(H2,13,14,16)
InChIKeyPQCOTGSSZGVSOL-UHFFFAOYSA-N
XLogP1.35
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-piperidin-1-ylsulfonylurea?
The IUPAC name of 1-cyclohexyl-3-piperidin-1-ylsulfonylurea (CID 90680220) is 1-cyclohexyl-3-piperidin-1-ylsulfonylurea.
What is the SMILES notation for 1-cyclohexyl-3-piperidin-1-ylsulfonylurea?
The canonical SMILES for 1-cyclohexyl-3-piperidin-1-ylsulfonylurea is O=C(NC1CCCCC1)NS(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-piperidin-1-ylsulfonylurea?
The InChIKey is PQCOTGSSZGVSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S/c16-12(13-11-7-3-1-4-8-11)14-19(17,18)15-9-5-2-6-10-15/h11H,1-10H2,(H2,13,14,16).
What are the key properties of 1-cyclohexyl-3-piperidin-1-ylsulfonylurea?
1-cyclohexyl-3-piperidin-1-ylsulfonylurea has a molecular weight of 289.40 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-piperidin-1-ylsulfonylurea is sourced from PubChem (CID 90680220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).