(2S)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[(2-chlorophenyl)methyl]propanamide

C17H15ClN5OS+ — CID 8940836

IUPAC(2S)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[(2-chlorophenyl)methyl]propanamide
SMILESC[C@H](Sc1[nH+]c(N)c(C#N)cc1C#N)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C17H14ClN5OS/c1-10(16(24)22-9-11-4-2-3-5-14(11)18)25-17-13(8-20)6-12(7-19)15(21)23-17/h2-6,10H,9H2,1H3,(H2,21,23)(H,22,24)/p+1/t10-/m0/s1
InChIKeyHAMYVBFISFVRJK-JTQLQIEISA-O
MW372.86 g/mol
LogP2.28
Rot. Bonds5

About (2S)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[(2-chlorophenyl)methyl]propanamide

(2S)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[(2-chlorophenyl)methyl]propanamide (PubChem CID 8940836) has the molecular formula C17H15ClN5OS+ and a molecular weight of 372.86 g/mol. Its IUPAC name is (2S)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[(2-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[(2-chlorophenyl)methyl]propanamide
PubChem CID8940836
Molecular FormulaC17H15ClN5OS+
Molecular Weight372.86 g/mol
Exact Mass372.07
IUPAC Name(2S)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[(2-chlorophenyl)methyl]propanamide
SMILESC[C@H](Sc1[nH+]c(N)c(C#N)cc1C#N)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C17H14ClN5OS/c1-10(16(24)22-9-11-4-2-3-5-14(11)18)25-17-13(8-20)6-12(7-19)15(21)23-17/h2-6,10H,9H2,1H3,(H2,21,23)(H,22,24)/p+1/t10-/m0/s1
InChIKeyHAMYVBFISFVRJK-JTQLQIEISA-O
XLogP2.28
TPSA116.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[(2-chlorophenyl)methyl]propanamide 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

(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
(2R)-N-[(2-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 26294215
3,6-diamino-N-[(2-chlorophenyl)methyl]-5-cyanothieno[2,3-b]pyridin-7-ium-2-carboxamide
CID 7395729
N-[(2-chlorophenyl)methyl]-2-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 51234017
(2R)-N-[(2-chlorophenyl)methyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide
CID 8726183
(2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-chlorophenyl)propanamide
CID 8940644
(2S)-N-[(2-chlorophenyl)methyl]-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 8937518
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2-chlorophenyl)methyl]propanamide
CID 46620393
(2S)-2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-chlorophenyl)methyl]propanamide
CID 8953829
methyl 2-[2-[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]acetate
CID 27977319
(2R)-N-[(2-chlorophenyl)methyl]-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8993494

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[(2-chlorophenyl)methyl]propanamide?
The IUPAC name of (2S)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[(2-chlorophenyl)methyl]propanamide (CID 8940836) is (2S)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[(2-chlorophenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[(2-chlorophenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[(2-chlorophenyl)methyl]propanamide is C[C@H](Sc1[nH+]c(N)c(C#N)cc1C#N)C(=O)NCc1ccccc1Cl.
What is the InChIKey of (2S)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[(2-chlorophenyl)methyl]propanamide?
The InChIKey is HAMYVBFISFVRJK-JTQLQIEISA-O. The full InChI is InChI=1S/C17H14ClN5OS/c1-10(16(24)22-9-11-4-2-3-5-14(11)18)25-17-13(8-20)6-12(7-19)15(21)23-17/h2-6,10H,9H2,1H3,(H2,21,23)(H,22,24)/p+1/t10-/m0/s1.
What are the key properties of (2S)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[(2-chlorophenyl)methyl]propanamide?
(2S)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[(2-chlorophenyl)methyl]propanamide has a molecular weight of 372.86 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[(2-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 8940836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).