2-methyl-1-(2-methylpentylsulfinyl)pentane

C12H26OS — CID 54319763

IUPAC2-methyl-1-(2-methylpentylsulfinyl)pentane
SMILESCCCC(C)CS(=O)CC(C)CCC
InChIInChI=1S/C12H26OS/c1-5-7-11(3)9-14(13)10-12(4)8-6-2/h11-12H,5-10H2,1-4H3
InChIKeySQUMAOWUWXCCEF-UHFFFAOYSA-N
MW218.41 g/mol
LogP3.61
Rot. Bonds8

About 2-methyl-1-(2-methylpentylsulfinyl)pentane

2-methyl-1-(2-methylpentylsulfinyl)pentane (PubChem CID 54319763) has the molecular formula C12H26OS and a molecular weight of 218.41 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpentylsulfinyl)pentane.

Molecular Properties

Compound Name2-methyl-1-(2-methylpentylsulfinyl)pentane
PubChem CID54319763
Molecular FormulaC12H26OS
Molecular Weight218.41 g/mol
Exact Mass218.17
IUPAC Name2-methyl-1-(2-methylpentylsulfinyl)pentane
SMILESCCCC(C)CS(=O)CC(C)CCC
InChIInChI=1S/C12H26OS/c1-5-7-11(3)9-14(13)10-12(4)8-6-2/h11-12H,5-10H2,1-4H3
InChIKeySQUMAOWUWXCCEF-UHFFFAOYSA-N
XLogP3.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.41
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methyl-1-(2-methylpentylsulfinyl)pentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpentylsulfinyl)pentane?
The IUPAC name of 2-methyl-1-(2-methylpentylsulfinyl)pentane (CID 54319763) is 2-methyl-1-(2-methylpentylsulfinyl)pentane.
What is the SMILES notation for 2-methyl-1-(2-methylpentylsulfinyl)pentane?
The canonical SMILES for 2-methyl-1-(2-methylpentylsulfinyl)pentane is CCCC(C)CS(=O)CC(C)CCC.
What is the InChIKey of 2-methyl-1-(2-methylpentylsulfinyl)pentane?
The InChIKey is SQUMAOWUWXCCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26OS/c1-5-7-11(3)9-14(13)10-12(4)8-6-2/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-methyl-1-(2-methylpentylsulfinyl)pentane?
2-methyl-1-(2-methylpentylsulfinyl)pentane has a molecular weight of 218.41 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpentylsulfinyl)pentane is sourced from PubChem (CID 54319763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).