1-(2-methylpropylsulfinyl)butane

C8H18OS — CID 123111909

IUPAC1-(2-methylpropylsulfinyl)butane
SMILESCCCCS(=O)CC(C)C
InChIInChI=1S/C8H18OS/c1-4-5-6-10(9)7-8(2)3/h8H,4-7H2,1-3H3
InChIKeyHOYWHQDJMWRCOT-UHFFFAOYSA-N
MW162.30 g/mol
LogP2.19
Rot. Bonds5

About 1-(2-methylpropylsulfinyl)butane

1-(2-methylpropylsulfinyl)butane (PubChem CID 123111909) has the molecular formula C8H18OS and a molecular weight of 162.30 g/mol. Its IUPAC name is 1-(2-methylpropylsulfinyl)butane.

Molecular Properties

Compound Name1-(2-methylpropylsulfinyl)butane
PubChem CID123111909
Molecular FormulaC8H18OS
Molecular Weight162.30 g/mol
Exact Mass162.11
IUPAC Name1-(2-methylpropylsulfinyl)butane
SMILESCCCCS(=O)CC(C)C
InChIInChI=1S/C8H18OS/c1-4-5-6-10(9)7-8(2)3/h8H,4-7H2,1-3H3
InChIKeyHOYWHQDJMWRCOT-UHFFFAOYSA-N
XLogP2.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-methylpropylsulfinyl)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 1-(2-methylpropylsulfinyl)butane?
The IUPAC name of 1-(2-methylpropylsulfinyl)butane (CID 123111909) is 1-(2-methylpropylsulfinyl)butane.
What is the SMILES notation for 1-(2-methylpropylsulfinyl)butane?
The canonical SMILES for 1-(2-methylpropylsulfinyl)butane is CCCCS(=O)CC(C)C.
What is the InChIKey of 1-(2-methylpropylsulfinyl)butane?
The InChIKey is HOYWHQDJMWRCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18OS/c1-4-5-6-10(9)7-8(2)3/h8H,4-7H2,1-3H3.
What are the key properties of 1-(2-methylpropylsulfinyl)butane?
1-(2-methylpropylsulfinyl)butane has a molecular weight of 162.30 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropylsulfinyl)butane is sourced from PubChem (CID 123111909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).