3-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylbutanamide

C9H19NOS2 — CID 23104694

IUPAC3-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylbutanamide
SMILESCC(C)(S)CC(=O)NC(C)(C)CS
InChIInChI=1S/C9H19NOS2/c1-8(2,6-12)10-7(11)5-9(3,4)13/h12-13H,5-6H2,1-4H3,(H,10,11)
InChIKeyXPRLYRVIUGZBML-UHFFFAOYSA-N
MW221.39 g/mol
LogP1.91
Rot. Bonds4

About 3-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylbutanamide

3-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylbutanamide (PubChem CID 23104694) has the molecular formula C9H19NOS2 and a molecular weight of 221.39 g/mol. Its IUPAC name is 3-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylbutanamide.

Molecular Properties

Compound Name3-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylbutanamide
PubChem CID23104694
Molecular FormulaC9H19NOS2
Molecular Weight221.39 g/mol
Exact Mass221.09
IUPAC Name3-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylbutanamide
SMILESCC(C)(S)CC(=O)NC(C)(C)CS
InChIInChI=1S/C9H19NOS2/c1-8(2,6-12)10-7(11)5-9(3,4)13/h12-13H,5-6H2,1-4H3,(H,10,11)
InChIKeyXPRLYRVIUGZBML-UHFFFAOYSA-N
XLogP1.91
TPSA29.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylbutanamide 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-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylbutanamide?
The IUPAC name of 3-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylbutanamide (CID 23104694) is 3-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylbutanamide.
What is the SMILES notation for 3-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylbutanamide?
The canonical SMILES for 3-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylbutanamide is CC(C)(S)CC(=O)NC(C)(C)CS.
What is the InChIKey of 3-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylbutanamide?
The InChIKey is XPRLYRVIUGZBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS2/c1-8(2,6-12)10-7(11)5-9(3,4)13/h12-13H,5-6H2,1-4H3,(H,10,11).
What are the key properties of 3-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylbutanamide?
3-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylbutanamide has a molecular weight of 221.39 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylbutanamide is sourced from PubChem (CID 23104694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).