2-pyridin-3-yl-N-(2-sulfanylethyl)prop-2-enamide

C10H12N2OS — CID 88603721

IUPAC2-pyridin-3-yl-N-(2-sulfanylethyl)prop-2-enamide
SMILESC=C(C(=O)NCCS)c1cccnc1
InChIInChI=1S/C10H12N2OS/c1-8(10(13)12-5-6-14)9-3-2-4-11-7-9/h2-4,7,14H,1,5-6H2,(H,12,13)
InChIKeyCAQBRQAUFVJAGI-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.14
Rot. Bonds4

About 2-pyridin-3-yl-N-(2-sulfanylethyl)prop-2-enamide

2-pyridin-3-yl-N-(2-sulfanylethyl)prop-2-enamide (PubChem CID 88603721) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 2-pyridin-3-yl-N-(2-sulfanylethyl)prop-2-enamide.

Molecular Properties

Compound Name2-pyridin-3-yl-N-(2-sulfanylethyl)prop-2-enamide
PubChem CID88603721
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name2-pyridin-3-yl-N-(2-sulfanylethyl)prop-2-enamide
SMILESC=C(C(=O)NCCS)c1cccnc1
InChIInChI=1S/C10H12N2OS/c1-8(10(13)12-5-6-14)9-3-2-4-11-7-9/h2-4,7,14H,1,5-6H2,(H,12,13)
InChIKeyCAQBRQAUFVJAGI-UHFFFAOYSA-N
XLogP1.14
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-tert-butylphenol;N-(2-sulfanylethyl)pyridine-3-carboxamide
CID 88648286
2-pyridin-3-yl-N-(2H-tetrazol-5-yl)prop-2-enamide
CID 19995962
2-pyridin-3-ylpent-1-en-3-one
CID 155931297
2-pyridin-3-yl-N-(2-sulfanylethyl)prop-2-enethioamide;1,3,5-trichloro-2-(2,4,6-trichlorophenyl)sulfanyloxysulfanylbenzene
CID 88603892
S-(sulfanylmethyl) 4-(pyridine-3-carbonylamino)butanethioate
CID 123417051
2-(methylamino)-1-pyridin-3-ylprop-2-en-1-one
CID 141355230
methanesulfonic acid;2-pyridin-3-ylprop-2-enamide
CID 174863919
N-amino-N-hydroxypyridine-3-carboxamide
CID 54392890
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258
N-sulfanylidenepyridine-3-carboxamide
CID 23289350
3-oxo-3-pyridin-3-ylpropanoyl chloride
CID 23438608

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-N-(2-sulfanylethyl)prop-2-enamide?
The IUPAC name of 2-pyridin-3-yl-N-(2-sulfanylethyl)prop-2-enamide (CID 88603721) is 2-pyridin-3-yl-N-(2-sulfanylethyl)prop-2-enamide.
What is the SMILES notation for 2-pyridin-3-yl-N-(2-sulfanylethyl)prop-2-enamide?
The canonical SMILES for 2-pyridin-3-yl-N-(2-sulfanylethyl)prop-2-enamide is C=C(C(=O)NCCS)c1cccnc1.
What is the InChIKey of 2-pyridin-3-yl-N-(2-sulfanylethyl)prop-2-enamide?
The InChIKey is CAQBRQAUFVJAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-8(10(13)12-5-6-14)9-3-2-4-11-7-9/h2-4,7,14H,1,5-6H2,(H,12,13).
What are the key properties of 2-pyridin-3-yl-N-(2-sulfanylethyl)prop-2-enamide?
2-pyridin-3-yl-N-(2-sulfanylethyl)prop-2-enamide has a molecular weight of 208.29 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-N-(2-sulfanylethyl)prop-2-enamide is sourced from PubChem (CID 88603721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).