2-ethyl-N-[methyl-(methylamino)-oxo-λ6-sulfanylidene]hexanamide

C10H22N2O2S — CID 170391446

IUPAC2-ethyl-N-[methyl-(methylamino)-oxo-λ6-sulfanylidene]hexanamide
SMILESCCCCC(CC)C(=O)N=S(C)(=O)NC
InChIInChI=1S/C10H22N2O2S/c1-5-7-8-9(6-2)10(13)12-15(4,14)11-3/h9H,5-8H2,1-4H3,(H,11,12,13,14)
InChIKeyOEYWYSOMHUOVQF-UHFFFAOYSA-N
MW234.36 g/mol
LogP1.96
Rot. Bonds6

About 2-ethyl-N-[methyl-(methylamino)-oxo-λ6-sulfanylidene]hexanamide

2-ethyl-N-[methyl-(methylamino)-oxo-λ6-sulfanylidene]hexanamide (PubChem CID 170391446) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 2-ethyl-N-[methyl-(methylamino)-oxo-λ6-sulfanylidene]hexanamide.

Molecular Properties

Compound Name2-ethyl-N-[methyl-(methylamino)-oxo-λ6-sulfanylidene]hexanamide
PubChem CID170391446
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name2-ethyl-N-[methyl-(methylamino)-oxo-λ6-sulfanylidene]hexanamide
SMILESCCCCC(CC)C(=O)N=S(C)(=O)NC
InChIInChI=1S/C10H22N2O2S/c1-5-7-8-9(6-2)10(13)12-15(4,14)11-3/h9H,5-8H2,1-4H3,(H,11,12,13,14)
InChIKeyOEYWYSOMHUOVQF-UHFFFAOYSA-N
XLogP1.96
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethylhexanoate;tin(2+)
CID 23616604
tetrakis(2-ethylhexanoate);tin(4+)
CID 22506300
gallium 2-ethylhexanoate
CID 21118224
CID 21474875
CID 21474875
bis(2-ethylhexanoate);zirconium(2+)
CID 13388286
tetrakis(2-ethylhexanoate);thorium(4+)
CID 175390088
tetrakis(2-ethylhexanoate);bis(zirconium(4+))
CID 175920407
bis(2-ethylhexanoate);molybdenum(2+)
CID 19602338
bis(copper(1+));bis(2-ethylhexanoate)
CID 21116994
3,5-diethylnonan-4-one
CID 115785527
bis(2-ethylhexanoate);titanium(4+);dichloride
CID 173230651
lithium;2-ethylhexanamide;hydride
CID 173043498

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[methyl-(methylamino)-oxo-λ6-sulfanylidene]hexanamide?
The IUPAC name of 2-ethyl-N-[methyl-(methylamino)-oxo-λ6-sulfanylidene]hexanamide (CID 170391446) is 2-ethyl-N-[methyl-(methylamino)-oxo-λ6-sulfanylidene]hexanamide.
What is the SMILES notation for 2-ethyl-N-[methyl-(methylamino)-oxo-λ6-sulfanylidene]hexanamide?
The canonical SMILES for 2-ethyl-N-[methyl-(methylamino)-oxo-λ6-sulfanylidene]hexanamide is CCCCC(CC)C(=O)N=S(C)(=O)NC.
What is the InChIKey of 2-ethyl-N-[methyl-(methylamino)-oxo-λ6-sulfanylidene]hexanamide?
The InChIKey is OEYWYSOMHUOVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-5-7-8-9(6-2)10(13)12-15(4,14)11-3/h9H,5-8H2,1-4H3,(H,11,12,13,14).
What are the key properties of 2-ethyl-N-[methyl-(methylamino)-oxo-λ6-sulfanylidene]hexanamide?
2-ethyl-N-[methyl-(methylamino)-oxo-λ6-sulfanylidene]hexanamide has a molecular weight of 234.36 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[methyl-(methylamino)-oxo-λ6-sulfanylidene]hexanamide is sourced from PubChem (CID 170391446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).