2-ethylsulfanyl-N-(2-methylsulfanylethyl)acetamide;methane

C8H19NOS2 — CID 159962117

IUPAC2-ethylsulfanyl-N-(2-methylsulfanylethyl)acetamide;methane
SMILESC.CCSCC(=O)NCCSC
InChIInChI=1S/C7H15NOS2.CH4/c1-3-11-6-7(9)8-4-5-10-2;/h3-6H2,1-2H3,(H,8,9);1H4
InChIKeyODLUBNCLAYKQSC-UHFFFAOYSA-N
MW209.38 g/mol
LogP1.85
Rot. Bonds6

About 2-ethylsulfanyl-N-(2-methylsulfanylethyl)acetamide;methane

2-ethylsulfanyl-N-(2-methylsulfanylethyl)acetamide;methane (PubChem CID 159962117) has the molecular formula C8H19NOS2 and a molecular weight of 209.38 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-(2-methylsulfanylethyl)acetamide;methane.

Molecular Properties

Compound Name2-ethylsulfanyl-N-(2-methylsulfanylethyl)acetamide;methane
PubChem CID159962117
Molecular FormulaC8H19NOS2
Molecular Weight209.38 g/mol
Exact Mass209.09
IUPAC Name2-ethylsulfanyl-N-(2-methylsulfanylethyl)acetamide;methane
SMILESC.CCSCC(=O)NCCSC
InChIInChI=1S/C7H15NOS2.CH4/c1-3-11-6-7(9)8-4-5-10-2;/h3-6H2,1-2H3,(H,8,9);1H4
InChIKeyODLUBNCLAYKQSC-UHFFFAOYSA-N
XLogP1.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-ethylsulfanylacetyl)amino]propanoic acid
CID 117126618
2-chloro-N-(2-ethylsulfanylethyl)acetamide
CID 82110577
N-[2-[(2-propylsulfanylacetyl)amino]ethyl]propanamide
CID 168959566
3-amino-N-(2-methylsulfanylethyl)-3-sulfanylidenepropanamide
CID 63958907
ethyl 4-(2-methylsulfanylethylamino)-4-oxobutanoate
CID 60637595
3-methylsulfanyl-N-propylpropanamide
CID 60637635
3-amino-N-(2-methylsulfanylethyl)butanamide
CID 63957777
N-(2-ethylsulfanylethyl)-3-(methylamino)propanamide
CID 146646964
5-hydroxy-N-(2-methylsulfanylethyl)pentanamide
CID 79198659
2-ethylsulfanyl-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide
CID 118787349
N-butyl-2-octylsulfanylacetamide
CID 4583267
N-(2-methylsulfanylethyl)-5-oxopentanamide
CID 58340929

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-(2-methylsulfanylethyl)acetamide;methane?
The IUPAC name of 2-ethylsulfanyl-N-(2-methylsulfanylethyl)acetamide;methane (CID 159962117) is 2-ethylsulfanyl-N-(2-methylsulfanylethyl)acetamide;methane.
What is the SMILES notation for 2-ethylsulfanyl-N-(2-methylsulfanylethyl)acetamide;methane?
The canonical SMILES for 2-ethylsulfanyl-N-(2-methylsulfanylethyl)acetamide;methane is C.CCSCC(=O)NCCSC.
What is the InChIKey of 2-ethylsulfanyl-N-(2-methylsulfanylethyl)acetamide;methane?
The InChIKey is ODLUBNCLAYKQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS2.CH4/c1-3-11-6-7(9)8-4-5-10-2;/h3-6H2,1-2H3,(H,8,9);1H4.
What are the key properties of 2-ethylsulfanyl-N-(2-methylsulfanylethyl)acetamide;methane?
2-ethylsulfanyl-N-(2-methylsulfanylethyl)acetamide;methane has a molecular weight of 209.38 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-(2-methylsulfanylethyl)acetamide;methane is sourced from PubChem (CID 159962117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).