1-cyclohexyl-3-methylsulfonylurea

C8H16N2O3S — CID 19972113

IUPAC1-cyclohexyl-3-methylsulfonylurea
SMILESCS(=O)(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C8H16N2O3S/c1-14(12,13)10-8(11)9-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H2,9,10,11)
InChIKeyZMYVBENTCMEVMQ-UHFFFAOYSA-N
MW220.29 g/mol
LogP0.58
Rot. Bonds2

About 1-cyclohexyl-3-methylsulfonylurea

1-cyclohexyl-3-methylsulfonylurea (PubChem CID 19972113) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 1-cyclohexyl-3-methylsulfonylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-methylsulfonylurea
PubChem CID19972113
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name1-cyclohexyl-3-methylsulfonylurea
SMILESCS(=O)(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C8H16N2O3S/c1-14(12,13)10-8(11)9-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H2,9,10,11)
InChIKeyZMYVBENTCMEVMQ-UHFFFAOYSA-N
XLogP0.58
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-3-methylsulfonylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Butan-2-ylcarbamoyl)-1-methylsulfonyl-1-pentylurea
CID 3000097
3-(Butan-2-ylcarbamoyl)-1-cyclohexyl-1-methylsulfonylurea
CID 3579134
N-cyclohexyl-4-(methylsulfonyl)-1-piperazinecarboxamide
CID 16187418
2-[2-(methanesulfonamido)ethyl]-N-methylpiperidine-1-carboxamide
CID 47062425
N-ethyl-2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxamide
CID 47062426
1-Cyclopentyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea
CID 47322289
1-Cyclohexyl-3-(trifluoromethylsulfonyl)urea
CID 155170680
1-[2-(Methanesulfonamido)cyclohexyl]-3-(2,2,2-trifluoroethyl)urea
CID 86793937
1-[(1S,2R)-2-(methanesulfonamido)cyclohexyl]-3-(2,2,2-trifluoroethyl)urea
CID 99777745
1-[(1S,2S)-2-(methanesulfonamido)cyclohexyl]-3-(2,2,2-trifluoroethyl)urea
CID 99777746
1-[(1R,2R)-2-(methanesulfonamido)cyclohexyl]-3-(2,2,2-trifluoroethyl)urea
CID 99777747
1-[(1R,2S)-2-(methanesulfonamido)cyclohexyl]-3-(2,2,2-trifluoroethyl)urea
CID 99777748

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-methylsulfonylurea?
The IUPAC name of 1-cyclohexyl-3-methylsulfonylurea (CID 19972113) is 1-cyclohexyl-3-methylsulfonylurea.
What is the SMILES notation for 1-cyclohexyl-3-methylsulfonylurea?
The canonical SMILES for 1-cyclohexyl-3-methylsulfonylurea is CS(=O)(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-methylsulfonylurea?
The InChIKey is ZMYVBENTCMEVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-14(12,13)10-8(11)9-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H2,9,10,11).
What are the key properties of 1-cyclohexyl-3-methylsulfonylurea?
1-cyclohexyl-3-methylsulfonylurea has a molecular weight of 220.29 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-methylsulfonylurea is sourced from PubChem (CID 19972113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).