N-methyl-2-(2-methylcycloprop-2-en-1-yl)sulfanyl-4-oxopentanamide

C10H15NO2S — CID 166878939

IUPACN-methyl-2-(2-methylcycloprop-2-en-1-yl)sulfanyl-4-oxopentanamide
SMILESCNC(=O)C(CC(C)=O)SC1C=C1C
InChIInChI=1S/C10H15NO2S/c1-6-4-8(6)14-9(5-7(2)12)10(13)11-3/h4,8-9H,5H2,1-3H3,(H,11,13)
InChIKeyHMCYHOAHICMCMK-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.14
Rot. Bonds5

About N-methyl-2-(2-methylcycloprop-2-en-1-yl)sulfanyl-4-oxopentanamide

N-methyl-2-(2-methylcycloprop-2-en-1-yl)sulfanyl-4-oxopentanamide (PubChem CID 166878939) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is N-methyl-2-(2-methylcycloprop-2-en-1-yl)sulfanyl-4-oxopentanamide.

Molecular Properties

Compound NameN-methyl-2-(2-methylcycloprop-2-en-1-yl)sulfanyl-4-oxopentanamide
PubChem CID166878939
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC NameN-methyl-2-(2-methylcycloprop-2-en-1-yl)sulfanyl-4-oxopentanamide
SMILESCNC(=O)C(CC(C)=O)SC1C=C1C
InChIInChI=1S/C10H15NO2S/c1-6-4-8(6)14-9(5-7(2)12)10(13)11-3/h4,8-9H,5H2,1-3H3,(H,11,13)
InChIKeyHMCYHOAHICMCMK-UHFFFAOYSA-N
XLogP1.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylcycloprop-2-en-1-yl)sulfanyl-4-oxopentanamide?
The IUPAC name of N-methyl-2-(2-methylcycloprop-2-en-1-yl)sulfanyl-4-oxopentanamide (CID 166878939) is N-methyl-2-(2-methylcycloprop-2-en-1-yl)sulfanyl-4-oxopentanamide.
What is the SMILES notation for N-methyl-2-(2-methylcycloprop-2-en-1-yl)sulfanyl-4-oxopentanamide?
The canonical SMILES for N-methyl-2-(2-methylcycloprop-2-en-1-yl)sulfanyl-4-oxopentanamide is CNC(=O)C(CC(C)=O)SC1C=C1C.
What is the InChIKey of N-methyl-2-(2-methylcycloprop-2-en-1-yl)sulfanyl-4-oxopentanamide?
The InChIKey is HMCYHOAHICMCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-6-4-8(6)14-9(5-7(2)12)10(13)11-3/h4,8-9H,5H2,1-3H3,(H,11,13).
What are the key properties of N-methyl-2-(2-methylcycloprop-2-en-1-yl)sulfanyl-4-oxopentanamide?
N-methyl-2-(2-methylcycloprop-2-en-1-yl)sulfanyl-4-oxopentanamide has a molecular weight of 213.30 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylcycloprop-2-en-1-yl)sulfanyl-4-oxopentanamide is sourced from PubChem (CID 166878939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).