2-methylpent-2-enamide;2-(pyridin-2-yldisulfanyl)pyridine

C16H19N3OS2 — CID 174994599

IUPAC2-methylpent-2-enamide;2-(pyridin-2-yldisulfanyl)pyridine
SMILESCCC=C(C)C(N)=O.c1ccc(SSc2ccccn2)nc1
InChIInChI=1S/C10H8N2S2.C6H11NO/c1-3-7-11-9(5-1)13-14-10-6-2-4-8-12-10;1-3-4-5(2)6(7)8/h1-8H;4H,3H2,1-2H3,(H2,7,8)
InChIKeyOTRRSAQKGNMNCD-UHFFFAOYSA-N
MW333.48 g/mol
LogP4.10
Rot. Bonds5

About 2-methylpent-2-enamide;2-(pyridin-2-yldisulfanyl)pyridine

2-methylpent-2-enamide;2-(pyridin-2-yldisulfanyl)pyridine (PubChem CID 174994599) has the molecular formula C16H19N3OS2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-methylpent-2-enamide;2-(pyridin-2-yldisulfanyl)pyridine.

Molecular Properties

Compound Name2-methylpent-2-enamide;2-(pyridin-2-yldisulfanyl)pyridine
PubChem CID174994599
Molecular FormulaC16H19N3OS2
Molecular Weight333.48 g/mol
Exact Mass333.10
IUPAC Name2-methylpent-2-enamide;2-(pyridin-2-yldisulfanyl)pyridine
SMILESCCC=C(C)C(N)=O.c1ccc(SSc2ccccn2)nc1
InChIInChI=1S/C10H8N2S2.C6H11NO/c1-3-7-11-9(5-1)13-14-10-6-2-4-8-12-10;1-3-4-5(2)6(7)8/h1-8H;4H,3H2,1-2H3,(H2,7,8)
InChIKeyOTRRSAQKGNMNCD-UHFFFAOYSA-N
XLogP4.10
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(pyridin-2-yldisulfanyl) 2-methylpent-2-enoate
CID 175566398
2-methylpent-2-enamide
CID 66895957
1-(pyridin-2-yldisulfanyl)propan-2-one
CID 88565959
isocyanatoethane;2-(pyridin-2-yldisulfanyl)pyridine
CID 122690557
2-(pyridin-2-yldisulfanyl)pyridine;tin(4+);tetrachloride
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(2Z,3Z,5E)-3-amino-4-bromo-5-methyl-2-propylidene-6-pyridin-2-ylhepta-3,5-dienamide
CID 170589722
ethene;2-(pyridin-2-yldisulfanyl)pyridine
CID 130237828
2-methyl-N-prop-2-enylprop-2-enamide;2-(pyridin-2-yldisulfanyl)pyridine
CID 170312059
2-pyridin-2-ylsulfanylbutanamide
CID 21127936
[4-(pyridin-2-yldisulfanyl)phenyl]methyl carbamate
CID 163216336
2-methyl-6-(pyridin-2-yldisulfanyl)benzamide
CID 154629641
2-(pyridin-2-yldisulfanyl)propyl carbamate
CID 141443220

Frequently Asked Questions

What is the IUPAC name of 2-methylpent-2-enamide;2-(pyridin-2-yldisulfanyl)pyridine?
The IUPAC name of 2-methylpent-2-enamide;2-(pyridin-2-yldisulfanyl)pyridine (CID 174994599) is 2-methylpent-2-enamide;2-(pyridin-2-yldisulfanyl)pyridine.
What is the SMILES notation for 2-methylpent-2-enamide;2-(pyridin-2-yldisulfanyl)pyridine?
The canonical SMILES for 2-methylpent-2-enamide;2-(pyridin-2-yldisulfanyl)pyridine is CCC=C(C)C(N)=O.c1ccc(SSc2ccccn2)nc1.
What is the InChIKey of 2-methylpent-2-enamide;2-(pyridin-2-yldisulfanyl)pyridine?
The InChIKey is OTRRSAQKGNMNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2S2.C6H11NO/c1-3-7-11-9(5-1)13-14-10-6-2-4-8-12-10;1-3-4-5(2)6(7)8/h1-8H;4H,3H2,1-2H3,(H2,7,8).
What are the key properties of 2-methylpent-2-enamide;2-(pyridin-2-yldisulfanyl)pyridine?
2-methylpent-2-enamide;2-(pyridin-2-yldisulfanyl)pyridine has a molecular weight of 333.48 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpent-2-enamide;2-(pyridin-2-yldisulfanyl)pyridine is sourced from PubChem (CID 174994599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).