propylsulfinylcyclohexane

C9H18OS — CID 10855995

IUPACpropylsulfinylcyclohexane
SMILESCCCS(=O)C1CCCCC1
InChIInChI=1S/C9H18OS/c1-2-8-11(10)9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChIKeyYXDHDZVCUCTPQF-UHFFFAOYSA-N
MW174.31 g/mol
LogP2.48
Rot. Bonds3

About propylsulfinylcyclohexane

propylsulfinylcyclohexane (PubChem CID 10855995) has the molecular formula C9H18OS and a molecular weight of 174.31 g/mol. Its IUPAC name is propylsulfinylcyclohexane.

Molecular Properties

Compound Namepropylsulfinylcyclohexane
PubChem CID10855995
Molecular FormulaC9H18OS
Molecular Weight174.31 g/mol
Exact Mass174.11
IUPAC Namepropylsulfinylcyclohexane
SMILESCCCS(=O)C1CCCCC1
InChIInChI=1S/C9H18OS/c1-2-8-11(10)9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChIKeyYXDHDZVCUCTPQF-UHFFFAOYSA-N
XLogP2.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propylsulfinylcyclohexane?
The IUPAC name of propylsulfinylcyclohexane (CID 10855995) is propylsulfinylcyclohexane.
What is the SMILES notation for propylsulfinylcyclohexane?
The canonical SMILES for propylsulfinylcyclohexane is CCCS(=O)C1CCCCC1.
What is the InChIKey of propylsulfinylcyclohexane?
The InChIKey is YXDHDZVCUCTPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OS/c1-2-8-11(10)9-6-4-3-5-7-9/h9H,2-8H2,1H3.
What are the key properties of propylsulfinylcyclohexane?
propylsulfinylcyclohexane has a molecular weight of 174.31 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propylsulfinylcyclohexane is sourced from PubChem (CID 10855995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).