N-methyl-N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]acetamide

C8H15NO2S — CID 54055812

IUPACN-methyl-N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]acetamide
SMILESCSCC[C@@H](C=O)N(C)C(C)=O
InChIInChI=1S/C8H15NO2S/c1-7(11)9(2)8(6-10)4-5-12-3/h6,8H,4-5H2,1-3H3/t8-/m0/s1
InChIKeySXZFCJOMEVHZKR-QMMMGPOBSA-N
MW189.28 g/mol
LogP0.79
Rot. Bonds5

About N-methyl-N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]acetamide

N-methyl-N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]acetamide (PubChem CID 54055812) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is N-methyl-N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]acetamide
PubChem CID54055812
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC NameN-methyl-N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]acetamide
SMILESCSCC[C@@H](C=O)N(C)C(C)=O
InChIInChI=1S/C8H15NO2S/c1-7(11)9(2)8(6-10)4-5-12-3/h6,8H,4-5H2,1-3H3/t8-/m0/s1
InChIKeySXZFCJOMEVHZKR-QMMMGPOBSA-N
XLogP0.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[1-(methylamino)-3-oxopropan-2-yl]acetamide
CID 167152909
(3S)-3-(2,2-dimethylhydrazinyl)-5-methylsulfanylpentan-2-one
CID 159990263
N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 112692053
5-methyl-3-(2-methylsulfanylethyl)-4-oxohexanal
CID 160800874
N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-sulfanylpropanamide
CID 107036026
2-(2-methylsulfanylethyl)propanedioic acid
CID 87755273
2-(hydroxyamino)-4-methylsulfanylbutanoic acid;nickel
CID 174611803
2-(dimethylamino)-4-methylsulfanylbutan-1-ol
CID 74829585
2-[formyl(methyl)amino]-5-methylsulfanylpentanoic acid
CID 103089381
propan-2-yl N-methyl-N-(4-methylsulfanylbutan-2-yl)carbamate
CID 116658052
[(2S)-2-(hydroxyamino)-4-methylsulfanylbutanoyl]oxyselanyl (2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate
CID 141025878
(2R)-2-acetamido-4-methylsulfanylbutanoic acid
CID 6991987

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]acetamide?
The IUPAC name of N-methyl-N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]acetamide (CID 54055812) is N-methyl-N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]acetamide.
What is the SMILES notation for N-methyl-N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]acetamide?
The canonical SMILES for N-methyl-N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]acetamide is CSCC[C@@H](C=O)N(C)C(C)=O.
What is the InChIKey of N-methyl-N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]acetamide?
The InChIKey is SXZFCJOMEVHZKR-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-7(11)9(2)8(6-10)4-5-12-3/h6,8H,4-5H2,1-3H3/t8-/m0/s1.
What are the key properties of N-methyl-N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]acetamide?
N-methyl-N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]acetamide has a molecular weight of 189.28 g/mol, XLogP of 0.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 54055812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).