butylsulfinylcyclohexane

C10H20OS — CID 14915508

IUPACbutylsulfinylcyclohexane
SMILESCCCCS(=O)C1CCCCC1
InChIInChI=1S/C10H20OS/c1-2-3-9-12(11)10-7-5-4-6-8-10/h10H,2-9H2,1H3
InChIKeyQDXMNAIAKUASBA-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.87
Rot. Bonds4

About butylsulfinylcyclohexane

butylsulfinylcyclohexane (PubChem CID 14915508) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is butylsulfinylcyclohexane.

Molecular Properties

Compound Namebutylsulfinylcyclohexane
PubChem CID14915508
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Namebutylsulfinylcyclohexane
SMILESCCCCS(=O)C1CCCCC1
InChIInChI=1S/C10H20OS/c1-2-3-9-12(11)10-7-5-4-6-8-10/h10H,2-9H2,1H3
InChIKeyQDXMNAIAKUASBA-UHFFFAOYSA-N
XLogP2.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze butylsulfinylcyclohexane 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

Dibutyl sulfoxide
CID 16568
Hexyl sulfoxide
CID 16593
Pentyl sulfoxide
CID 74806
Heptyl sulfoxide
CID 91426
2-((1-Methylpropyl)sulfinyl)butane
CID 114469
1,1'-Sulfinylbis(cyclohexane)
CID 202776
1-Methanesulfinyl-hexane
CID 12244487
Cyclohexane, (pentylthio)-
CID 557453
Sulfide, cyclohexyl propyl
CID 557549
Sulfide, cyclohexyl isopropyl
CID 557550
(Ethylsulfanyl)cyclohexane
CID 557553
Sulfide, butyl cyclohexyl
CID 557554

Frequently Asked Questions

What is the IUPAC name of butylsulfinylcyclohexane?
The IUPAC name of butylsulfinylcyclohexane (CID 14915508) is butylsulfinylcyclohexane.
What is the SMILES notation for butylsulfinylcyclohexane?
The canonical SMILES for butylsulfinylcyclohexane is CCCCS(=O)C1CCCCC1.
What is the InChIKey of butylsulfinylcyclohexane?
The InChIKey is QDXMNAIAKUASBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-2-3-9-12(11)10-7-5-4-6-8-10/h10H,2-9H2,1H3.
What are the key properties of butylsulfinylcyclohexane?
butylsulfinylcyclohexane has a molecular weight of 188.34 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butylsulfinylcyclohexane is sourced from PubChem (CID 14915508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).