N-methyl-2-methylsulfanyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide

C10H20N2O2S — CID 71941853

IUPACN-methyl-2-methylsulfanyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
SMILESCSC(C)C(=O)N(C)CC(=O)NC(C)C
InChIInChI=1S/C10H20N2O2S/c1-7(2)11-9(13)6-12(4)10(14)8(3)15-5/h7-8H,6H2,1-5H3,(H,11,13)
InChIKeyANSOAWJIBOIGAB-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.72
Rot. Bonds5

About N-methyl-2-methylsulfanyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide

N-methyl-2-methylsulfanyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide (PubChem CID 71941853) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-methyl-2-methylsulfanyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide.

Molecular Properties

Compound NameN-methyl-2-methylsulfanyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
PubChem CID71941853
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-methyl-2-methylsulfanyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
SMILESCSC(C)C(=O)N(C)CC(=O)NC(C)C
InChIInChI=1S/C10H20N2O2S/c1-7(2)11-9(13)6-12(4)10(14)8(3)15-5/h7-8H,6H2,1-5H3,(H,11,13)
InChIKeyANSOAWJIBOIGAB-UHFFFAOYSA-N
XLogP0.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfanyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
The IUPAC name of N-methyl-2-methylsulfanyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide (CID 71941853) is N-methyl-2-methylsulfanyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide.
What is the SMILES notation for N-methyl-2-methylsulfanyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
The canonical SMILES for N-methyl-2-methylsulfanyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide is CSC(C)C(=O)N(C)CC(=O)NC(C)C.
What is the InChIKey of N-methyl-2-methylsulfanyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
The InChIKey is ANSOAWJIBOIGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-7(2)11-9(13)6-12(4)10(14)8(3)15-5/h7-8H,6H2,1-5H3,(H,11,13).
What are the key properties of N-methyl-2-methylsulfanyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
N-methyl-2-methylsulfanyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide has a molecular weight of 232.35 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide is sourced from PubChem (CID 71941853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).