N-ethyl-N-[(pyridin-2-yldisulfanyl)methyl]formamide

C9H12N2OS2 — CID 20679404

IUPACN-ethyl-N-[(pyridin-2-yldisulfanyl)methyl]formamide
SMILESCCN(C=O)CSSc1ccccn1
InChIInChI=1S/C9H12N2OS2/c1-2-11(7-12)8-13-14-9-5-3-4-6-10-9/h3-7H,2,8H2,1H3
InChIKeyWUZKKXHJOFIAGF-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.26
Rot. Bonds6

About N-ethyl-N-[(pyridin-2-yldisulfanyl)methyl]formamide

N-ethyl-N-[(pyridin-2-yldisulfanyl)methyl]formamide (PubChem CID 20679404) has the molecular formula C9H12N2OS2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-ethyl-N-[(pyridin-2-yldisulfanyl)methyl]formamide.

Molecular Properties

Compound NameN-ethyl-N-[(pyridin-2-yldisulfanyl)methyl]formamide
PubChem CID20679404
Molecular FormulaC9H12N2OS2
Molecular Weight228.34 g/mol
Exact Mass228.04
IUPAC NameN-ethyl-N-[(pyridin-2-yldisulfanyl)methyl]formamide
SMILESCCN(C=O)CSSc1ccccn1
InChIInChI=1S/C9H12N2OS2/c1-2-11(7-12)8-13-14-9-5-3-4-6-10-9/h3-7H,2,8H2,1H3
InChIKeyWUZKKXHJOFIAGF-UHFFFAOYSA-N
XLogP2.26
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[formyl(methyl)amino] 3-(pyridin-2-yldisulfanyl)propanoate
CID 143394194
1-(pyridin-2-yldisulfanyl)propan-2-one
CID 88565959
N-ethyl-N-(pyridin-2-ylsulfanylmethyl)ethanamine
CID 12657317
(2S)-1-(pyridin-2-yldisulfanyl)propan-2-ol
CID 155484839
2-(pyridin-2-yldisulfanyl)pyridine;tin(4+);tetrachloride
CID 21452483
N-methyl-2-(pyridin-2-yldisulfanyl)ethanamine
CID 89137900
2-(but-3-enyldisulfanyl)pyridine
CID 89193061
ethene;2-(pyridin-2-yldisulfanyl)pyridine
CID 130237828
isocyanatoethane;2-(pyridin-2-yldisulfanyl)pyridine
CID 122690557
acetaldehyde;N-ethyl-N-[(pyridin-2-yldisulfanyl)methyl]formamide;1-ethylpyrrole-2,5-dione;methane;4-methylbenzaldehyde;N-(4-methylphenyl)-2-(pyridin-2-yldisulfanyl)acetamide;1-(4-methylphenyl)pyrrole-2,5-dione;N-methyl-2-pyridin-2-ylsulfanylacetamide;1-methylpyrrole-2,5-dione;propanal
CID 161094302
4,4-dimethyl-1-(pyridin-2-yldisulfanyl)pentan-3-one
CID 87103492
3,3-dimethyl-1-(pyridin-2-yldisulfanyl)butan-2-one;ethene
CID 158904952

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(pyridin-2-yldisulfanyl)methyl]formamide?
The IUPAC name of N-ethyl-N-[(pyridin-2-yldisulfanyl)methyl]formamide (CID 20679404) is N-ethyl-N-[(pyridin-2-yldisulfanyl)methyl]formamide.
What is the SMILES notation for N-ethyl-N-[(pyridin-2-yldisulfanyl)methyl]formamide?
The canonical SMILES for N-ethyl-N-[(pyridin-2-yldisulfanyl)methyl]formamide is CCN(C=O)CSSc1ccccn1.
What is the InChIKey of N-ethyl-N-[(pyridin-2-yldisulfanyl)methyl]formamide?
The InChIKey is WUZKKXHJOFIAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS2/c1-2-11(7-12)8-13-14-9-5-3-4-6-10-9/h3-7H,2,8H2,1H3.
What are the key properties of N-ethyl-N-[(pyridin-2-yldisulfanyl)methyl]formamide?
N-ethyl-N-[(pyridin-2-yldisulfanyl)methyl]formamide has a molecular weight of 228.34 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(pyridin-2-yldisulfanyl)methyl]formamide is sourced from PubChem (CID 20679404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).