N-methyl-3-methylsulfanyl-2-(propanoylamino)propanamide

C8H16N2O2S — CID 89011469

IUPACN-methyl-3-methylsulfanyl-2-(propanoylamino)propanamide
SMILESCCC(=O)NC(CSC)C(=O)NC
InChIInChI=1S/C8H16N2O2S/c1-4-7(11)10-6(5-13-3)8(12)9-2/h6H,4-5H2,1-3H3,(H,9,12)(H,10,11)
InChIKeyURUPUDRNELOSJW-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.01
Rot. Bonds5

About N-methyl-3-methylsulfanyl-2-(propanoylamino)propanamide

N-methyl-3-methylsulfanyl-2-(propanoylamino)propanamide (PubChem CID 89011469) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is N-methyl-3-methylsulfanyl-2-(propanoylamino)propanamide.

Molecular Properties

Compound NameN-methyl-3-methylsulfanyl-2-(propanoylamino)propanamide
PubChem CID89011469
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC NameN-methyl-3-methylsulfanyl-2-(propanoylamino)propanamide
SMILESCCC(=O)NC(CSC)C(=O)NC
InChIInChI=1S/C8H16N2O2S/c1-4-7(11)10-6(5-13-3)8(12)9-2/h6H,4-5H2,1-3H3,(H,9,12)(H,10,11)
InChIKeyURUPUDRNELOSJW-UHFFFAOYSA-N
XLogP-0.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-methyl-3-methylsulfanyl-2-(propanoylamino)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

4-(methylamino)-4-oxo-3-(propanoylamino)butanoic acid
CID 23556652
S-[2-acetamido-3-(methylamino)-3-oxopropyl] ethanethioate
CID 130369900
(2R)-2-acetamido-N-methyl-3-nitrososulfanylpropanamide
CID 89275978
methyl 4-methylsulfanyl-2-(propanoylamino)butanoate
CID 21476824
3-ethylsulfanyl-2-(propanoylamino)propanoic acid
CID 87754591
2-acetamido-3-[2-acetamido-3-(methylamino)-3-oxopropyl]sulfanylpropanamide
CID 130374120
(2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-sulfanylpropanamide
CID 154978208
(2R)-2-(methylamino)-3-methylsulfanylpropanoic acid
CID 5288874
2-chloro-N-methyl-5-[[(2S)-4-methylsulfanyl-2-(propanoylamino)butanoyl]amino]benzamide
CID 52510426
N-methyl-2-[3-(methylamino)propanoylamino]pentanamide;hydrochloride
CID 155820102
methyl (2R)-2-acetamido-3-[[(2R)-2-acetamido-3-(methylamino)-3-oxopropyl]disulfanyl]propanoate
CID 155380964
N-methylpropanamide;propane
CID 91316585

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylsulfanyl-2-(propanoylamino)propanamide?
The IUPAC name of N-methyl-3-methylsulfanyl-2-(propanoylamino)propanamide (CID 89011469) is N-methyl-3-methylsulfanyl-2-(propanoylamino)propanamide.
What is the SMILES notation for N-methyl-3-methylsulfanyl-2-(propanoylamino)propanamide?
The canonical SMILES for N-methyl-3-methylsulfanyl-2-(propanoylamino)propanamide is CCC(=O)NC(CSC)C(=O)NC.
What is the InChIKey of N-methyl-3-methylsulfanyl-2-(propanoylamino)propanamide?
The InChIKey is URUPUDRNELOSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-4-7(11)10-6(5-13-3)8(12)9-2/h6H,4-5H2,1-3H3,(H,9,12)(H,10,11).
What are the key properties of N-methyl-3-methylsulfanyl-2-(propanoylamino)propanamide?
N-methyl-3-methylsulfanyl-2-(propanoylamino)propanamide has a molecular weight of 204.29 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylsulfanyl-2-(propanoylamino)propanamide is sourced from PubChem (CID 89011469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).