3-methyl-1-(3-methylbutylsulfinyl)butane

C10H22OS — CID 24407

IUPAC3-methyl-1-(3-methylbutylsulfinyl)butane
SMILESCC(C)CCS(=O)CCC(C)C
InChIInChI=1S/C10H22OS/c1-9(2)5-7-12(11)8-6-10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyWXYDKGMJJFFORR-UHFFFAOYSA-N
MW190.35 g/mol
LogP2.83
Rot. Bonds6

About 3-methyl-1-(3-methylbutylsulfinyl)butane

3-methyl-1-(3-methylbutylsulfinyl)butane (PubChem CID 24407) has the molecular formula C10H22OS and a molecular weight of 190.35 g/mol. Its IUPAC name is 3-methyl-1-(3-methylbutylsulfinyl)butane.

Molecular Properties

Compound Name3-methyl-1-(3-methylbutylsulfinyl)butane
PubChem CID24407
Molecular FormulaC10H22OS
Molecular Weight190.35 g/mol
Exact Mass190.14
IUPAC Name3-methyl-1-(3-methylbutylsulfinyl)butane
SMILESCC(C)CCS(=O)CCC(C)C
InChIInChI=1S/C10H22OS/c1-9(2)5-7-12(11)8-6-10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyWXYDKGMJJFFORR-UHFFFAOYSA-N
XLogP2.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.35
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-methyl-1-(3-methylbutylsulfinyl)butane 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 3-methyl-1-(3-methylbutylsulfinyl)butane?
The IUPAC name of 3-methyl-1-(3-methylbutylsulfinyl)butane (CID 24407) is 3-methyl-1-(3-methylbutylsulfinyl)butane.
What is the SMILES notation for 3-methyl-1-(3-methylbutylsulfinyl)butane?
The canonical SMILES for 3-methyl-1-(3-methylbutylsulfinyl)butane is CC(C)CCS(=O)CCC(C)C.
What is the InChIKey of 3-methyl-1-(3-methylbutylsulfinyl)butane?
The InChIKey is WXYDKGMJJFFORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OS/c1-9(2)5-7-12(11)8-6-10(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 3-methyl-1-(3-methylbutylsulfinyl)butane?
3-methyl-1-(3-methylbutylsulfinyl)butane has a molecular weight of 190.35 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylbutylsulfinyl)butane is sourced from PubChem (CID 24407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).