2-[5,5-dimethylhexyl(dimethyl)-λ4-sulfanyl]-N-(2,2-dimethylpropyl)acetamide

C17H37NOS — CID 156566482

IUPAC2-[5,5-dimethylhexyl(dimethyl)-λ4-sulfanyl]-N-(2,2-dimethylpropyl)acetamide
SMILESCC(C)(C)CCCCS(C)(C)CC(=O)NCC(C)(C)C
InChIInChI=1S/C17H37NOS/c1-16(2,3)11-9-10-12-20(7,8)13-15(19)18-14-17(4,5)6/h9-14H2,1-8H3,(H,18,19)
InChIKeyMWMOSOVTGAJQEQ-UHFFFAOYSA-N
MW303.56 g/mol
LogP4.43
Rot. Bonds7

About 2-[5,5-dimethylhexyl(dimethyl)-λ4-sulfanyl]-N-(2,2-dimethylpropyl)acetamide

2-[5,5-dimethylhexyl(dimethyl)-λ4-sulfanyl]-N-(2,2-dimethylpropyl)acetamide (PubChem CID 156566482) has the molecular formula C17H37NOS and a molecular weight of 303.56 g/mol. Its IUPAC name is 2-[5,5-dimethylhexyl(dimethyl)-λ4-sulfanyl]-N-(2,2-dimethylpropyl)acetamide.

Molecular Properties

Compound Name2-[5,5-dimethylhexyl(dimethyl)-λ4-sulfanyl]-N-(2,2-dimethylpropyl)acetamide
PubChem CID156566482
Molecular FormulaC17H37NOS
Molecular Weight303.56 g/mol
Exact Mass303.26
IUPAC Name2-[5,5-dimethylhexyl(dimethyl)-λ4-sulfanyl]-N-(2,2-dimethylpropyl)acetamide
SMILESCC(C)(C)CCCCS(C)(C)CC(=O)NCC(C)(C)C
InChIInChI=1S/C17H37NOS/c1-16(2,3)11-9-10-12-20(7,8)13-15(19)18-14-17(4,5)6/h9-14H2,1-8H3,(H,18,19)
InChIKeyMWMOSOVTGAJQEQ-UHFFFAOYSA-N
XLogP4.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.56
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6,6-dimethyl-1-methylsulfonylheptane
CID 157459266
N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
CID 59197749
N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide
CID 155613162
N-(2,2-dimethylpropyl)-5-hydroxypentanamide
CID 79209264
[2-(2,2-dimethylpropylamino)-2-oxoethyl] 4,4-dimethylpentanoate
CID 159685378
N-(2,2-dimethylpropyl)-2-[[2-[(2-hydroperoxyacetyl)amino]acetyl]amino]acetamide
CID 166997753
N-(5,5-dimethylhexyl)methanesulfonamide
CID 20706690
N-(2,2-dimethylpropyl)-2,2-dimethylbutanamide
CID 54381373
N-ethyl-5,5-dimethylhexanamide
CID 121264886
N-(2,2-dimethylpropyl)-3-hydroxybutanamide
CID 87908757
sulfuric acid;2,2,6,6-tetramethylheptane
CID 175200152
2-amino-N-(5,5-dimethylhexyl)-4-methylsulfonylbutanamide;hydrochloride
CID 119957267

Frequently Asked Questions

What is the IUPAC name of 2-[5,5-dimethylhexyl(dimethyl)-λ4-sulfanyl]-N-(2,2-dimethylpropyl)acetamide?
The IUPAC name of 2-[5,5-dimethylhexyl(dimethyl)-λ4-sulfanyl]-N-(2,2-dimethylpropyl)acetamide (CID 156566482) is 2-[5,5-dimethylhexyl(dimethyl)-λ4-sulfanyl]-N-(2,2-dimethylpropyl)acetamide.
What is the SMILES notation for 2-[5,5-dimethylhexyl(dimethyl)-λ4-sulfanyl]-N-(2,2-dimethylpropyl)acetamide?
The canonical SMILES for 2-[5,5-dimethylhexyl(dimethyl)-λ4-sulfanyl]-N-(2,2-dimethylpropyl)acetamide is CC(C)(C)CCCCS(C)(C)CC(=O)NCC(C)(C)C.
What is the InChIKey of 2-[5,5-dimethylhexyl(dimethyl)-λ4-sulfanyl]-N-(2,2-dimethylpropyl)acetamide?
The InChIKey is MWMOSOVTGAJQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NOS/c1-16(2,3)11-9-10-12-20(7,8)13-15(19)18-14-17(4,5)6/h9-14H2,1-8H3,(H,18,19).
What are the key properties of 2-[5,5-dimethylhexyl(dimethyl)-λ4-sulfanyl]-N-(2,2-dimethylpropyl)acetamide?
2-[5,5-dimethylhexyl(dimethyl)-λ4-sulfanyl]-N-(2,2-dimethylpropyl)acetamide has a molecular weight of 303.56 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,5-dimethylhexyl(dimethyl)-λ4-sulfanyl]-N-(2,2-dimethylpropyl)acetamide is sourced from PubChem (CID 156566482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).