2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)butanamide

C9H19NOS — CID 88956504

IUPAC2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)butanamide
SMILESCCC(C)C(=O)NC(C)(C)CS
InChIInChI=1S/C9H19NOS/c1-5-7(2)8(11)10-9(3,4)6-12/h7,12H,5-6H2,1-4H3,(H,10,11)
InChIKeyZMENVVXYMPGAQB-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.86
Rot. Bonds4

About 2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)butanamide

2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)butanamide (PubChem CID 88956504) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)butanamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)butanamide
PubChem CID88956504
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)butanamide
SMILESCCC(C)C(=O)NC(C)(C)CS
InChIInChI=1S/C9H19NOS/c1-5-7(2)8(11)10-9(3,4)6-12/h7,12H,5-6H2,1-4H3,(H,10,11)
InChIKeyZMENVVXYMPGAQB-UHFFFAOYSA-N
XLogP1.86
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)butanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-tert-butyl-2-methylbutanamide
CID 3512220
Butanamide, N-tert.-butyl-3-methyl
CID 528609
N-tert-butyl-3-sulfanylpropanamide
CID 14292941
3-methyl-2-sulfanyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide
CID 106212669
2-methyl-N-(2-methylbutan-2-yl)butanamide
CID 21020408
3-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylbutanamide
CID 23104694
2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylpropanamide
CID 23104699
2,2-dimethyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylpropanamide
CID 23104747
2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)-3-sulfanylpropanamide
CID 23104768
N-(2-methyl-1-sulfanylpropan-2-yl)-5-sulfanylpentanamide
CID 23104770
N-(2-methyl-1-sulfanylpropan-2-yl)-4-sulfanylbutanamide
CID 23104789
(2S)-N-tert-Butyl-2-methylbutanamide
CID 57765013

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)butanamide?
The IUPAC name of 2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)butanamide (CID 88956504) is 2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)butanamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)butanamide?
The canonical SMILES for 2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)butanamide is CCC(C)C(=O)NC(C)(C)CS.
What is the InChIKey of 2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)butanamide?
The InChIKey is ZMENVVXYMPGAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-5-7(2)8(11)10-9(3,4)6-12/h7,12H,5-6H2,1-4H3,(H,10,11).
What are the key properties of 2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)butanamide?
2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)butanamide has a molecular weight of 189.32 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-1-sulfanylpropan-2-yl)butanamide is sourced from PubChem (CID 88956504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).