N-methyl-N-[1-(methyldisulfanyl)-3-oxobutan-2-yl]acetamide

C8H15NO2S2 — CID 20666056

IUPACN-methyl-N-[1-(methyldisulfanyl)-3-oxobutan-2-yl]acetamide
SMILESCSSCC(C(C)=O)N(C)C(C)=O
InChIInChI=1S/C8H15NO2S2/c1-6(10)8(5-13-12-4)9(3)7(2)11/h8H,5H2,1-4H3
InChIKeyUAAHGEYOAWQPFX-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.43
Rot. Bonds5

About N-methyl-N-[1-(methyldisulfanyl)-3-oxobutan-2-yl]acetamide

N-methyl-N-[1-(methyldisulfanyl)-3-oxobutan-2-yl]acetamide (PubChem CID 20666056) has the molecular formula C8H15NO2S2 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-methyl-N-[1-(methyldisulfanyl)-3-oxobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[1-(methyldisulfanyl)-3-oxobutan-2-yl]acetamide
PubChem CID20666056
Molecular FormulaC8H15NO2S2
Molecular Weight221.35 g/mol
Exact Mass221.05
IUPAC NameN-methyl-N-[1-(methyldisulfanyl)-3-oxobutan-2-yl]acetamide
SMILESCSSCC(C(C)=O)N(C)C(C)=O
InChIInChI=1S/C8H15NO2S2/c1-6(10)8(5-13-12-4)9(3)7(2)11/h8H,5H2,1-4H3
InChIKeyUAAHGEYOAWQPFX-UHFFFAOYSA-N
XLogP1.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 112692053
N-methyl-N-(3-methyl-1-sulfanylbutyl)acetamide
CID 129049376
2-(methylsulfanylmethyl)-4-oxopentanoic acid
CID 157156436
(3R)-3-(dimethylamino)-4-hydroxybutan-2-one
CID 59048229
(3S)-3-(dimethylamino)-4-hydroxybutan-2-one
CID 59048256
N-[1-[acetyl(methyl)amino]ethyl]acetamide
CID 166903607
methyl (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate
CID 131852765
N-methyl-N-[2-oxo-1-(3-oxobutylsulfanyl)propyl]acetamide
CID 144641304
N-[1-(4,4-difluoropiperidin-1-yl)-4-oxopentan-3-yl]-N-methylacetamide
CID 166795935
2-[acetyl(methyl)amino]-3-propan-2-ylsulfinylpropanoic acid
CID 146614044
N-methyl-N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]acetamide
CID 54055812
N-(1-chloropropan-2-yl)-N-methylacetamide
CID 104555726

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(methyldisulfanyl)-3-oxobutan-2-yl]acetamide?
The IUPAC name of N-methyl-N-[1-(methyldisulfanyl)-3-oxobutan-2-yl]acetamide (CID 20666056) is N-methyl-N-[1-(methyldisulfanyl)-3-oxobutan-2-yl]acetamide.
What is the SMILES notation for N-methyl-N-[1-(methyldisulfanyl)-3-oxobutan-2-yl]acetamide?
The canonical SMILES for N-methyl-N-[1-(methyldisulfanyl)-3-oxobutan-2-yl]acetamide is CSSCC(C(C)=O)N(C)C(C)=O.
What is the InChIKey of N-methyl-N-[1-(methyldisulfanyl)-3-oxobutan-2-yl]acetamide?
The InChIKey is UAAHGEYOAWQPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S2/c1-6(10)8(5-13-12-4)9(3)7(2)11/h8H,5H2,1-4H3.
What are the key properties of N-methyl-N-[1-(methyldisulfanyl)-3-oxobutan-2-yl]acetamide?
N-methyl-N-[1-(methyldisulfanyl)-3-oxobutan-2-yl]acetamide has a molecular weight of 221.35 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(methyldisulfanyl)-3-oxobutan-2-yl]acetamide is sourced from PubChem (CID 20666056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).