2-(cyclohexylsulfonylmethyl)pyrimidine

C11H16N2O2S — CID 68862381

IUPAC2-(cyclohexylsulfonylmethyl)pyrimidine
SMILESO=S(=O)(Cc1ncccn1)C1CCCCC1
InChIInChI=1S/C11H16N2O2S/c14-16(15,10-5-2-1-3-6-10)9-11-12-7-4-8-13-11/h4,7-8,10H,1-3,5-6,9H2
InChIKeySYYRAAGZSTYQSJ-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.72
Rot. Bonds3

About 2-(cyclohexylsulfonylmethyl)pyrimidine

2-(cyclohexylsulfonylmethyl)pyrimidine (PubChem CID 68862381) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(cyclohexylsulfonylmethyl)pyrimidine.

Molecular Properties

Compound Name2-(cyclohexylsulfonylmethyl)pyrimidine
PubChem CID68862381
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-(cyclohexylsulfonylmethyl)pyrimidine
SMILESO=S(=O)(Cc1ncccn1)C1CCCCC1
InChIInChI=1S/C11H16N2O2S/c14-16(15,10-5-2-1-3-6-10)9-11-12-7-4-8-13-11/h4,7-8,10H,1-3,5-6,9H2
InChIKeySYYRAAGZSTYQSJ-UHFFFAOYSA-N
XLogP1.72
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(cyclohexylsulfonylmethyl)pyrimidine 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

N-[2-(isobutylsulfonyl)ethyl]pyrimidin-2-amine
CID 72909170
2-Ethylsulfonylpyrimidine
CID 20158620
2-Cyclohexylsulfanylpyrimidine
CID 88984858
N,N-dimethyl-2-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
CID 75507839
5-fluoro-2-[(2R)-2-methylsulfonylpropyl]pyrimidine
CID 124085015
5-fluoro-2-[(2S)-2-methylsulfonylpropyl]pyrimidine
CID 132107282
5-Fluoro-2-(2-methylsulfonylethyl)pyrimidine
CID 134558805
Propenenitrile, 2-propylsulfonyl-3-(2-pyrimidylamino)-
CID 2819490
1,1-Dioxothietanylpyrimidine
CID 129749803
2-((1-Methylcyclohexyl)sulfonyl)pyrimidine
CID 166636863
2-((Propan-2-yl-d7)sulfonyl)pyrimidine
CID 166636916
N-[[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-3-methylsulfonylpropan-1-amine
CID 137848312

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylsulfonylmethyl)pyrimidine?
The IUPAC name of 2-(cyclohexylsulfonylmethyl)pyrimidine (CID 68862381) is 2-(cyclohexylsulfonylmethyl)pyrimidine.
What is the SMILES notation for 2-(cyclohexylsulfonylmethyl)pyrimidine?
The canonical SMILES for 2-(cyclohexylsulfonylmethyl)pyrimidine is O=S(=O)(Cc1ncccn1)C1CCCCC1.
What is the InChIKey of 2-(cyclohexylsulfonylmethyl)pyrimidine?
The InChIKey is SYYRAAGZSTYQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c14-16(15,10-5-2-1-3-6-10)9-11-12-7-4-8-13-11/h4,7-8,10H,1-3,5-6,9H2.
What are the key properties of 2-(cyclohexylsulfonylmethyl)pyrimidine?
2-(cyclohexylsulfonylmethyl)pyrimidine has a molecular weight of 240.33 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylsulfonylmethyl)pyrimidine is sourced from PubChem (CID 68862381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).