2-methyl-N-[2-(2-methylsulfanylpropanoylamino)ethyl]propanamide

C10H20N2O2S — CID 71941856

IUPAC2-methyl-N-[2-(2-methylsulfanylpropanoylamino)ethyl]propanamide
SMILESCSC(C)C(=O)NCCNC(=O)C(C)C
InChIInChI=1S/C10H20N2O2S/c1-7(2)9(13)11-5-6-12-10(14)8(3)15-4/h7-8H,5-6H2,1-4H3,(H,11,13)(H,12,14)
InChIKeyZRVUKKLNULHMQI-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.63
Rot. Bonds6

About 2-methyl-N-[2-(2-methylsulfanylpropanoylamino)ethyl]propanamide

2-methyl-N-[2-(2-methylsulfanylpropanoylamino)ethyl]propanamide (PubChem CID 71941856) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methylsulfanylpropanoylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methylsulfanylpropanoylamino)ethyl]propanamide
PubChem CID71941856
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name2-methyl-N-[2-(2-methylsulfanylpropanoylamino)ethyl]propanamide
SMILESCSC(C)C(=O)NCCNC(=O)C(C)C
InChIInChI=1S/C10H20N2O2S/c1-7(2)9(13)11-5-6-12-10(14)8(3)15-4/h7-8H,5-6H2,1-4H3,(H,11,13)(H,12,14)
InChIKeyZRVUKKLNULHMQI-UHFFFAOYSA-N
XLogP0.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylsulfanyl-N-propylpropanamide
CID 131085433
N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide
CID 108575110
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CID 115731422
N-methyl-2-methylsulfanylpropanamide
CID 55208447
2-methyl-N-[4-(methylamino)butyl]propanamide
CID 134337431
N-[2-[(2-chloroacetyl)amino]ethyl]-2-methylpropanamide
CID 61251740
N-(2-chloroethyl)-2-methylpropanamide
CID 21034170
2-methyl-N-(2-sulfanylethyl)propanamide
CID 23374889
methane;3-methylbutan-2-one;2-methyl-N-propylpropanamide
CID 159729828
2-(2-methylsulfanylpropanoylamino)propanoic acid
CID 22950848
(2S)-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylsulfanylpropanamide
CID 97017596
(2R)-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylsulfanylpropanamide
CID 97017595

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methylsulfanylpropanoylamino)ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-(2-methylsulfanylpropanoylamino)ethyl]propanamide (CID 71941856) is 2-methyl-N-[2-(2-methylsulfanylpropanoylamino)ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-(2-methylsulfanylpropanoylamino)ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-(2-methylsulfanylpropanoylamino)ethyl]propanamide is CSC(C)C(=O)NCCNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[2-(2-methylsulfanylpropanoylamino)ethyl]propanamide?
The InChIKey is ZRVUKKLNULHMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-7(2)9(13)11-5-6-12-10(14)8(3)15-4/h7-8H,5-6H2,1-4H3,(H,11,13)(H,12,14).
What are the key properties of 2-methyl-N-[2-(2-methylsulfanylpropanoylamino)ethyl]propanamide?
2-methyl-N-[2-(2-methylsulfanylpropanoylamino)ethyl]propanamide has a molecular weight of 232.35 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methylsulfanylpropanoylamino)ethyl]propanamide is sourced from PubChem (CID 71941856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).