(2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-ethylpropanamide

C12H14N5OS+ — CID 8637943

IUPAC(2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)Sc1[nH+]c(N)c(C#N)cc1C#N
InChIInChI=1S/C12H13N5OS/c1-3-16-11(18)7(2)19-12-9(6-14)4-8(5-13)10(15)17-12/h4,7H,3H2,1-2H3,(H2,15,17)(H,16,18)/p+1/t7-/m1/s1
InChIKeyVTVGBVVQCCVUCH-SSDOTTSWSA-O
MW276.35 g/mol
LogP0.44
Rot. Bonds4

About (2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-ethylpropanamide

(2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-ethylpropanamide (PubChem CID 8637943) has the molecular formula C12H14N5OS+ and a molecular weight of 276.35 g/mol. Its IUPAC name is (2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-ethylpropanamide.

Molecular Properties

Compound Name(2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-ethylpropanamide
PubChem CID8637943
Molecular FormulaC12H14N5OS+
Molecular Weight276.35 g/mol
Exact Mass276.09
IUPAC Name(2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)Sc1[nH+]c(N)c(C#N)cc1C#N
InChIInChI=1S/C12H13N5OS/c1-3-16-11(18)7(2)19-12-9(6-14)4-8(5-13)10(15)17-12/h4,7H,3H2,1-2H3,(H2,15,17)(H,16,18)/p+1/t7-/m1/s1
InChIKeyVTVGBVVQCCVUCH-SSDOTTSWSA-O
XLogP0.44
TPSA116.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-ethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[(2-chlorophenyl)methyl]propanamide
CID 8940836
(2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 8940735
(2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)propanamide
CID 8940872
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-ethylpropanamide
CID 60665444
ethyl 5-cyano-6-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]sulfanyl-2-methylpyridine-3-carboxylate
CID 8602768
2-amino-6-phenacylsulfanylpyridin-1-ium-3,5-dicarbonitrile
CID 4743021
2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 8562294
2-(4-aminophenyl)sulfanyl-N-ethylpropanamide
CID 43299394
2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 6954246
2-(5-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide
CID 79133360
2-amino-6-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanylpyridin-1-ium-3,5-dicarbonitrile
CID 4746423
(2S)-N-ethyl-2-phenylsulfanylpropanamide
CID 875325

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-ethylpropanamide?
The IUPAC name of (2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-ethylpropanamide (CID 8637943) is (2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-ethylpropanamide.
What is the SMILES notation for (2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-ethylpropanamide?
The canonical SMILES for (2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-ethylpropanamide is CCNC(=O)[C@@H](C)Sc1[nH+]c(N)c(C#N)cc1C#N.
What is the InChIKey of (2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-ethylpropanamide?
The InChIKey is VTVGBVVQCCVUCH-SSDOTTSWSA-O. The full InChI is InChI=1S/C12H13N5OS/c1-3-16-11(18)7(2)19-12-9(6-14)4-8(5-13)10(15)17-12/h4,7H,3H2,1-2H3,(H2,15,17)(H,16,18)/p+1/t7-/m1/s1.
What are the key properties of (2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-ethylpropanamide?
(2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-ethylpropanamide has a molecular weight of 276.35 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-ethylpropanamide is sourced from PubChem (CID 8637943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).