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

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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).