2-methyl-N-(3-methylpentan-3-yl)propane-2-sulfinamide

C10H23NOS — CID 118404554

IUPAC2-methyl-N-(3-methylpentan-3-yl)propane-2-sulfinamide
SMILESCCC(C)(CC)NS(=O)C(C)(C)C
InChIInChI=1S/C10H23NOS/c1-7-10(6,8-2)11-13(12)9(3,4)5/h11H,7-8H2,1-6H3
InChIKeyWBHZOZLEJRQCET-UHFFFAOYSA-N
MW205.37 g/mol
LogP2.62
Rot. Bonds4

About 2-methyl-N-(3-methylpentan-3-yl)propane-2-sulfinamide

2-methyl-N-(3-methylpentan-3-yl)propane-2-sulfinamide (PubChem CID 118404554) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 2-methyl-N-(3-methylpentan-3-yl)propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylpentan-3-yl)propane-2-sulfinamide
PubChem CID118404554
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name2-methyl-N-(3-methylpentan-3-yl)propane-2-sulfinamide
SMILESCCC(C)(CC)NS(=O)C(C)(C)C
InChIInChI=1S/C10H23NOS/c1-7-10(6,8-2)11-13(12)9(3,4)5/h11H,7-8H2,1-6H3
InChIKeyWBHZOZLEJRQCET-UHFFFAOYSA-N
XLogP2.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-N-(3-methylpentan-3-yl)propane-2-sulfinamide 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-N-(3-methylpentan-3-yl)propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-(3-methylpentan-3-yl)propane-2-sulfinamide (CID 118404554) is 2-methyl-N-(3-methylpentan-3-yl)propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-(3-methylpentan-3-yl)propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-(3-methylpentan-3-yl)propane-2-sulfinamide is CCC(C)(CC)NS(=O)C(C)(C)C.
What is the InChIKey of 2-methyl-N-(3-methylpentan-3-yl)propane-2-sulfinamide?
The InChIKey is WBHZOZLEJRQCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-7-10(6,8-2)11-13(12)9(3,4)5/h11H,7-8H2,1-6H3.
What are the key properties of 2-methyl-N-(3-methylpentan-3-yl)propane-2-sulfinamide?
2-methyl-N-(3-methylpentan-3-yl)propane-2-sulfinamide has a molecular weight of 205.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylpentan-3-yl)propane-2-sulfinamide is sourced from PubChem (CID 118404554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).