2-(1-methylcyclohexyl)sulfonylpyrimidine

C11H16N2O2S — CID 166636863

IUPAC2-(1-methylcyclohexyl)sulfonylpyrimidine
SMILESCC1(S(=O)(=O)c2ncccn2)CCCCC1
InChIInChI=1S/C11H16N2O2S/c1-11(6-3-2-4-7-11)16(14,15)10-12-8-5-9-13-10/h5,8-9H,2-4,6-7H2,1H3
InChIKeyIEOFRUWMKRNSGS-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.97
Rot. Bonds2

About 2-(1-methylcyclohexyl)sulfonylpyrimidine

2-(1-methylcyclohexyl)sulfonylpyrimidine (PubChem CID 166636863) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(1-methylcyclohexyl)sulfonylpyrimidine.

Molecular Properties

Compound Name2-(1-methylcyclohexyl)sulfonylpyrimidine
PubChem CID166636863
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-(1-methylcyclohexyl)sulfonylpyrimidine
SMILESCC1(S(=O)(=O)c2ncccn2)CCCCC1
InChIInChI=1S/C11H16N2O2S/c1-11(6-3-2-4-7-11)16(14,15)10-12-8-5-9-13-10/h5,8-9H,2-4,6-7H2,1H3
InChIKeyIEOFRUWMKRNSGS-UHFFFAOYSA-N
XLogP1.97
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclohexyl)sulfonylpyrimidine?
The IUPAC name of 2-(1-methylcyclohexyl)sulfonylpyrimidine (CID 166636863) is 2-(1-methylcyclohexyl)sulfonylpyrimidine.
What is the SMILES notation for 2-(1-methylcyclohexyl)sulfonylpyrimidine?
The canonical SMILES for 2-(1-methylcyclohexyl)sulfonylpyrimidine is CC1(S(=O)(=O)c2ncccn2)CCCCC1.
What is the InChIKey of 2-(1-methylcyclohexyl)sulfonylpyrimidine?
The InChIKey is IEOFRUWMKRNSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-11(6-3-2-4-7-11)16(14,15)10-12-8-5-9-13-10/h5,8-9H,2-4,6-7H2,1H3.
What are the key properties of 2-(1-methylcyclohexyl)sulfonylpyrimidine?
2-(1-methylcyclohexyl)sulfonylpyrimidine has a molecular weight of 240.33 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclohexyl)sulfonylpyrimidine is sourced from PubChem (CID 166636863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).