2-(ethyldisulfanyl)butane;2-(ethyldisulfanyl)-2-methylbutane;1-(ethyldisulfanyl)propane;N-(propan-2-ylideneamino)acetamide

C23H52N2OS6 — CID 163765744

IUPAC2-(ethyldisulfanyl)butane;2-(ethyldisulfanyl)-2-methylbutane;1-(ethyldisulfanyl)propane;N-(propan-2-ylideneamino)acetamide
SMILESCC(=O)NN=C(C)C.CCCSSCC.CCSSC(C)(C)CC.CCSSC(C)CC
InChIInChI=1S/C7H16S2.C6H14S2.C5H10N2O.C5H12S2/c1-5-7(3,4)9-8-6-2;1-4-6(3)8-7-5-2;1-4(2)6-7-5(3)8;1-3-5-7-6-4-2/h5-6H2,1-4H3;6H,4-5H2,1-3H3;1-3H3,(H,7,8);3-5H2,1-2H3
InChIKeyMCCWRSWTWYWCAS-UHFFFAOYSA-N
MW565.08 g/mol
LogP10.08
Rot. Bonds13

About 2-(ethyldisulfanyl)butane;2-(ethyldisulfanyl)-2-methylbutane;1-(ethyldisulfanyl)propane;N-(propan-2-ylideneamino)acetamide

2-(ethyldisulfanyl)butane;2-(ethyldisulfanyl)-2-methylbutane;1-(ethyldisulfanyl)propane;N-(propan-2-ylideneamino)acetamide (PubChem CID 163765744) has the molecular formula C23H52N2OS6 and a molecular weight of 565.08 g/mol. Its IUPAC name is 2-(ethyldisulfanyl)butane;2-(ethyldisulfanyl)-2-methylbutane;1-(ethyldisulfanyl)propane;N-(propan-2-ylideneamino)acetamide.

Molecular Properties

Compound Name2-(ethyldisulfanyl)butane;2-(ethyldisulfanyl)-2-methylbutane;1-(ethyldisulfanyl)propane;N-(propan-2-ylideneamino)acetamide
PubChem CID163765744
Molecular FormulaC23H52N2OS6
Molecular Weight565.08 g/mol
Exact Mass564.24
IUPAC Name2-(ethyldisulfanyl)butane;2-(ethyldisulfanyl)-2-methylbutane;1-(ethyldisulfanyl)propane;N-(propan-2-ylideneamino)acetamide
SMILESCC(=O)NN=C(C)C.CCCSSCC.CCSSC(C)(C)CC.CCSSC(C)CC
InChIInChI=1S/C7H16S2.C6H14S2.C5H10N2O.C5H12S2/c1-5-7(3,4)9-8-6-2;1-4-6(3)8-7-5-2;1-4(2)6-7-5(3)8;1-3-5-7-6-4-2/h5-6H2,1-4H3;6H,4-5H2,1-3H3;1-3H3,(H,7,8);3-5H2,1-2H3
InChIKeyMCCWRSWTWYWCAS-UHFFFAOYSA-N
XLogP10.08
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.08
LogP ≤ 510.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-2-methylbutane;methane;N-(propan-2-ylideneamino)acetamide
CID 159101823
1,3-dimethylpyrrolidine-2,5-dione;1,4-dimethyltriazole;2-(ethyldisulfanyl)butane;2-(ethyldisulfanyl)-2-methylbutane;1-(ethyldisulfanyl)propane;3-methylhex-2-enoic acid;N-(propan-2-ylideneamino)acetamide
CID 159125349
2-acetamido-3-(propyldisulfanyl)propanoic acid
CID 539482
N-[(Z)-3-ethylpentan-2-ylideneamino]acetamide
CID 166970539
2-(butan-2-yldisulfanyl)-2-methylheptane
CID 118070753
(2S)-2,3-dimethyl-3-(propyldisulfanyl)butanoic acid
CID 122630060
4-(butan-2-yldisulfanyl)pentan-2-one
CID 162715141
N,N'-bis(butan-2-yldisulfanyl)oxamide
CID 21150748
(2S)-2-[[(2R)-butan-2-yl]disulfanyl]butane
CID 7458634
N-butan-2-yl-3-(2-methylpropanoylhydrazinylidene)butanamide
CID 5019181
ethyl (2R)-2-acetamido-3-[(3-ethoxy-3-oxopropyl)disulfanyl]propanoate
CID 170627605
S-(2-methylbutan-2-yl) N-[4-[[4-[[4-[[4-(butan-2-ylsulfanylcarbonylamino)phenyl]methyl]phenyl]carbamoylamino]phenyl]methyl]phenyl]carbamothioate
CID 118011956

Frequently Asked Questions

What is the IUPAC name of 2-(ethyldisulfanyl)butane;2-(ethyldisulfanyl)-2-methylbutane;1-(ethyldisulfanyl)propane;N-(propan-2-ylideneamino)acetamide?
The IUPAC name of 2-(ethyldisulfanyl)butane;2-(ethyldisulfanyl)-2-methylbutane;1-(ethyldisulfanyl)propane;N-(propan-2-ylideneamino)acetamide (CID 163765744) is 2-(ethyldisulfanyl)butane;2-(ethyldisulfanyl)-2-methylbutane;1-(ethyldisulfanyl)propane;N-(propan-2-ylideneamino)acetamide.
What is the SMILES notation for 2-(ethyldisulfanyl)butane;2-(ethyldisulfanyl)-2-methylbutane;1-(ethyldisulfanyl)propane;N-(propan-2-ylideneamino)acetamide?
The canonical SMILES for 2-(ethyldisulfanyl)butane;2-(ethyldisulfanyl)-2-methylbutane;1-(ethyldisulfanyl)propane;N-(propan-2-ylideneamino)acetamide is CC(=O)NN=C(C)C.CCCSSCC.CCSSC(C)(C)CC.CCSSC(C)CC.
What is the InChIKey of 2-(ethyldisulfanyl)butane;2-(ethyldisulfanyl)-2-methylbutane;1-(ethyldisulfanyl)propane;N-(propan-2-ylideneamino)acetamide?
The InChIKey is MCCWRSWTWYWCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16S2.C6H14S2.C5H10N2O.C5H12S2/c1-5-7(3,4)9-8-6-2;1-4-6(3)8-7-5-2;1-4(2)6-7-5(3)8;1-3-5-7-6-4-2/h5-6H2,1-4H3;6H,4-5H2,1-3H3;1-3H3,(H,7,8);3-5H2,1-2H3.
What are the key properties of 2-(ethyldisulfanyl)butane;2-(ethyldisulfanyl)-2-methylbutane;1-(ethyldisulfanyl)propane;N-(propan-2-ylideneamino)acetamide?
2-(ethyldisulfanyl)butane;2-(ethyldisulfanyl)-2-methylbutane;1-(ethyldisulfanyl)propane;N-(propan-2-ylideneamino)acetamide has a molecular weight of 565.08 g/mol, XLogP of 10.08, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethyldisulfanyl)butane;2-(ethyldisulfanyl)-2-methylbutane;1-(ethyldisulfanyl)propane;N-(propan-2-ylideneamino)acetamide is sourced from PubChem (CID 163765744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).