2-methyl-N-(2-propan-2-ylsulfanylethyl)propanamide

C9H19NOS — CID 59765706

IUPAC2-methyl-N-(2-propan-2-ylsulfanylethyl)propanamide
SMILESCC(C)SCCNC(=O)C(C)C
InChIInChI=1S/C9H19NOS/c1-7(2)9(11)10-5-6-12-8(3)4/h7-8H,5-6H2,1-4H3,(H,10,11)
InChIKeyOVOIRHVGAZFPBZ-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.90
Rot. Bonds5

About 2-methyl-N-(2-propan-2-ylsulfanylethyl)propanamide

2-methyl-N-(2-propan-2-ylsulfanylethyl)propanamide (PubChem CID 59765706) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 2-methyl-N-(2-propan-2-ylsulfanylethyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(2-propan-2-ylsulfanylethyl)propanamide
PubChem CID59765706
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name2-methyl-N-(2-propan-2-ylsulfanylethyl)propanamide
SMILESCC(C)SCCNC(=O)C(C)C
InChIInChI=1S/C9H19NOS/c1-7(2)9(11)10-5-6-12-8(3)4/h7-8H,5-6H2,1-4H3,(H,10,11)
InChIKeyOVOIRHVGAZFPBZ-UHFFFAOYSA-N
XLogP1.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-N-(2-propan-2-ylsulfanylethyl)propanamide 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

2,2-Dimethyl-3-thiomorpholinone
CID 95098
3-Thiomorpholinone, 2-methyl-
CID 95528
3,3'-thiobis[N-(sec-butyl)propanamide]
CID 2931410
N-[2-(methylthio)ethyl]butanamide
CID 2245988
Propanamide, N-[2-(hexylthio)ethyl]-
CID 113635
3,3'-thiobis[N-(3-methylbutyl)propanamide]
CID 2932047
Potassium 2-[2-(2-methylpropylamino)-2-oxoethyl]sulfanylacetate
CID 137658222
N,N'-(thiodi-2,1-ethanediyl)diacetamide
CID 2053712
N-butyl-2-methyl-3-sulfanylpropanamide
CID 72947095
Propionamide, N,2-dimethyl-2-isopropylthio-
CID 3051481
3-(2-amino-2-oxoethyl)sulfanyl-N-(cyclopropylmethyl)propanamide
CID 47023340
(2S)-2-methyl-N-(2-methylsulfanylethyl)-3-sulfanylpropanamide
CID 72947096

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-propan-2-ylsulfanylethyl)propanamide?
The IUPAC name of 2-methyl-N-(2-propan-2-ylsulfanylethyl)propanamide (CID 59765706) is 2-methyl-N-(2-propan-2-ylsulfanylethyl)propanamide.
What is the SMILES notation for 2-methyl-N-(2-propan-2-ylsulfanylethyl)propanamide?
The canonical SMILES for 2-methyl-N-(2-propan-2-ylsulfanylethyl)propanamide is CC(C)SCCNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-(2-propan-2-ylsulfanylethyl)propanamide?
The InChIKey is OVOIRHVGAZFPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-7(2)9(11)10-5-6-12-8(3)4/h7-8H,5-6H2,1-4H3,(H,10,11).
What are the key properties of 2-methyl-N-(2-propan-2-ylsulfanylethyl)propanamide?
2-methyl-N-(2-propan-2-ylsulfanylethyl)propanamide has a molecular weight of 189.32 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-propan-2-ylsulfanylethyl)propanamide is sourced from PubChem (CID 59765706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).