1-methyl-2-propylsulfinylcyclohexane

C10H20OS — CID 21427687

IUPAC1-methyl-2-propylsulfinylcyclohexane
SMILESCCCS(=O)C1CCCCC1C
InChIInChI=1S/C10H20OS/c1-3-8-12(11)10-7-5-4-6-9(10)2/h9-10H,3-8H2,1-2H3
InChIKeyFQAKHEJYPRRHDK-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.72
Rot. Bonds3

About 1-methyl-2-propylsulfinylcyclohexane

1-methyl-2-propylsulfinylcyclohexane (PubChem CID 21427687) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 1-methyl-2-propylsulfinylcyclohexane.

Molecular Properties

Compound Name1-methyl-2-propylsulfinylcyclohexane
PubChem CID21427687
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name1-methyl-2-propylsulfinylcyclohexane
SMILESCCCS(=O)C1CCCCC1C
InChIInChI=1S/C10H20OS/c1-3-8-12(11)10-7-5-4-6-9(10)2/h9-10H,3-8H2,1-2H3
InChIKeyFQAKHEJYPRRHDK-UHFFFAOYSA-N
XLogP2.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propylsulfinylcyclohexane?
The IUPAC name of 1-methyl-2-propylsulfinylcyclohexane (CID 21427687) is 1-methyl-2-propylsulfinylcyclohexane.
What is the SMILES notation for 1-methyl-2-propylsulfinylcyclohexane?
The canonical SMILES for 1-methyl-2-propylsulfinylcyclohexane is CCCS(=O)C1CCCCC1C.
What is the InChIKey of 1-methyl-2-propylsulfinylcyclohexane?
The InChIKey is FQAKHEJYPRRHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-3-8-12(11)10-7-5-4-6-9(10)2/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-methyl-2-propylsulfinylcyclohexane?
1-methyl-2-propylsulfinylcyclohexane has a molecular weight of 188.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propylsulfinylcyclohexane is sourced from PubChem (CID 21427687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).