ethane;N-ethyl-N-methyl-2-methylsulfanylacetamide

C8H19NOS — CID 142224349

IUPACethane;N-ethyl-N-methyl-2-methylsulfanylacetamide
SMILESCC.CCN(C)C(=O)CSC
InChIInChI=1S/C6H13NOS.C2H6/c1-4-7(2)6(8)5-9-3;1-2/h4-5H2,1-3H3;1-2H3
InChIKeyAKURMIWDISXBNW-UHFFFAOYSA-N
MW177.31 g/mol
LogP1.85
Rot. Bonds3

About ethane;N-ethyl-N-methyl-2-methylsulfanylacetamide

ethane;N-ethyl-N-methyl-2-methylsulfanylacetamide (PubChem CID 142224349) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is ethane;N-ethyl-N-methyl-2-methylsulfanylacetamide.

Molecular Properties

Compound Nameethane;N-ethyl-N-methyl-2-methylsulfanylacetamide
PubChem CID142224349
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Nameethane;N-ethyl-N-methyl-2-methylsulfanylacetamide
SMILESCC.CCN(C)C(=O)CSC
InChIInChI=1S/C6H13NOS.C2H6/c1-4-7(2)6(8)5-9-3;1-2/h4-5H2,1-3H3;1-2H3
InChIKeyAKURMIWDISXBNW-UHFFFAOYSA-N
XLogP1.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-methyl-2-(methyldisulfanyl)acetamide
CID 126990968
N-methyl-2-[methyl-[2-[methyl-(2-methylsulfanylacetyl)amino]acetyl]amino]-N-(2-oxopropyl)acetamide
CID 162697957
N-ethyl-2-(2-hydroxyethylsulfanyl)-N-methylacetamide
CID 43502624
(2R)-2-amino-3-[2-[ethyl(methyl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 61141256
ethane;N-ethyl-N-methylbut-3-enamide
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bis(N-ethyl-N-methylpropanamide);pentan-3-one
CID 158092722
2-(3-amino-2-methylpropyl)sulfanyl-N-ethyl-N-methylacetamide
CID 66227723
N-[(4-chlorophenyl)methyl]-N-methyl-2-methylsulfanylacetamide
CID 112790205
N'-ethyl-N'-methyl-2-methylsulfanylacetohydrazide
CID 131019040
2-(2-ethoxyethoxy)-N-ethyl-N-methylacetamide
CID 143737672
N-ethyl-N-methyl-2-(methylamino)acetamide
CID 18683928
N-ethyl-N,3,3-trimethylbutanamide
CID 89107590

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N-methyl-2-methylsulfanylacetamide?
The IUPAC name of ethane;N-ethyl-N-methyl-2-methylsulfanylacetamide (CID 142224349) is ethane;N-ethyl-N-methyl-2-methylsulfanylacetamide.
What is the SMILES notation for ethane;N-ethyl-N-methyl-2-methylsulfanylacetamide?
The canonical SMILES for ethane;N-ethyl-N-methyl-2-methylsulfanylacetamide is CC.CCN(C)C(=O)CSC.
What is the InChIKey of ethane;N-ethyl-N-methyl-2-methylsulfanylacetamide?
The InChIKey is AKURMIWDISXBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS.C2H6/c1-4-7(2)6(8)5-9-3;1-2/h4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;N-ethyl-N-methyl-2-methylsulfanylacetamide?
ethane;N-ethyl-N-methyl-2-methylsulfanylacetamide has a molecular weight of 177.31 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N-methyl-2-methylsulfanylacetamide is sourced from PubChem (CID 142224349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).