2-(ethyldisulfanyl)-2-methylbutane;methane;N-(propan-2-ylideneamino)acetamide

C14H34N2OS2 — CID 159101823

IUPAC2-(ethyldisulfanyl)-2-methylbutane;methane;N-(propan-2-ylideneamino)acetamide
SMILESC.C.CC(=O)NN=C(C)C.CCSSC(C)(C)CC
InChIInChI=1S/C7H16S2.C5H10N2O.2CH4/c1-5-7(3,4)9-8-6-2;1-4(2)6-7-5(3)8;;/h5-6H2,1-4H3;1-3H3,(H,7,8);2*1H4
InChIKeyKDJOURSXCWUYQT-UHFFFAOYSA-N
MW310.57 g/mol
LogP5.37
Rot. Bonds5

About 2-(ethyldisulfanyl)-2-methylbutane;methane;N-(propan-2-ylideneamino)acetamide

2-(ethyldisulfanyl)-2-methylbutane;methane;N-(propan-2-ylideneamino)acetamide (PubChem CID 159101823) has the molecular formula C14H34N2OS2 and a molecular weight of 310.57 g/mol. Its IUPAC name is 2-(ethyldisulfanyl)-2-methylbutane;methane;N-(propan-2-ylideneamino)acetamide.

Molecular Properties

Compound Name2-(ethyldisulfanyl)-2-methylbutane;methane;N-(propan-2-ylideneamino)acetamide
PubChem CID159101823
Molecular FormulaC14H34N2OS2
Molecular Weight310.57 g/mol
Exact Mass310.21
IUPAC Name2-(ethyldisulfanyl)-2-methylbutane;methane;N-(propan-2-ylideneamino)acetamide
SMILESC.C.CC(=O)NN=C(C)C.CCSSC(C)(C)CC
InChIInChI=1S/C7H16S2.C5H10N2O.2CH4/c1-5-7(3,4)9-8-6-2;1-4(2)6-7-5(3)8;;/h5-6H2,1-4H3;1-3H3,(H,7,8);2*1H4
InChIKeyKDJOURSXCWUYQT-UHFFFAOYSA-N
XLogP5.37
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.57
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(ethyldisulfanyl)butane;2-(ethyldisulfanyl)-2-methylbutane;1-(ethyldisulfanyl)propane;N-(propan-2-ylideneamino)acetamide
CID 163765744
N-[(Z)-3-ethylpentan-2-ylideneamino]acetamide
CID 166970539
diethyl 3-(acetylhydrazinylidene)pentanedioate
CID 3383221
acetohydrazide;butan-2-one;bis(N-[(Z)-butan-2-ylideneamino]acetamide)
CID 172928532
methyl N'-tert-butyl-N-(propan-2-ylideneamino)carbamimidothioate
CID 11138139
ethane;N-(2-methylbutan-2-yl)acetamide
CID 142252022
(propan-2-ylideneamino)urea;sulfane;urea
CID 174867107
ethyl 3-(acetylhydrazinylidene)-3-aminopropanoate
CID 73177102
N-methyl-1-(2-methylbutan-2-ylsulfanyl)ethenamine
CID 163411692
N-[[amino-(hydroxyamino)methylidene]amino]acetamide
CID 151292898
N',2,2-trimethyl-N-(propan-2-ylideneamino)propanimidamide
CID 91278102
carbanylium;2,2-dimethylbutanoate
CID 157088844

Frequently Asked Questions

What is the IUPAC name of 2-(ethyldisulfanyl)-2-methylbutane;methane;N-(propan-2-ylideneamino)acetamide?
The IUPAC name of 2-(ethyldisulfanyl)-2-methylbutane;methane;N-(propan-2-ylideneamino)acetamide (CID 159101823) is 2-(ethyldisulfanyl)-2-methylbutane;methane;N-(propan-2-ylideneamino)acetamide.
What is the SMILES notation for 2-(ethyldisulfanyl)-2-methylbutane;methane;N-(propan-2-ylideneamino)acetamide?
The canonical SMILES for 2-(ethyldisulfanyl)-2-methylbutane;methane;N-(propan-2-ylideneamino)acetamide is C.C.CC(=O)NN=C(C)C.CCSSC(C)(C)CC.
What is the InChIKey of 2-(ethyldisulfanyl)-2-methylbutane;methane;N-(propan-2-ylideneamino)acetamide?
The InChIKey is KDJOURSXCWUYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16S2.C5H10N2O.2CH4/c1-5-7(3,4)9-8-6-2;1-4(2)6-7-5(3)8;;/h5-6H2,1-4H3;1-3H3,(H,7,8);2*1H4.
What are the key properties of 2-(ethyldisulfanyl)-2-methylbutane;methane;N-(propan-2-ylideneamino)acetamide?
2-(ethyldisulfanyl)-2-methylbutane;methane;N-(propan-2-ylideneamino)acetamide has a molecular weight of 310.57 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethyldisulfanyl)-2-methylbutane;methane;N-(propan-2-ylideneamino)acetamide is sourced from PubChem (CID 159101823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).