2-amino-2-phenyl-4-pyridin-2-ylsulfanylbutanenitrile

C15H15N3S — CID 116693137

IUPAC2-amino-2-phenyl-4-pyridin-2-ylsulfanylbutanenitrile
SMILESN#CC(N)(CCSc1ccccn1)c1ccccc1
InChIInChI=1S/C15H15N3S/c16-12-15(17,13-6-2-1-3-7-13)9-11-19-14-8-4-5-10-18-14/h1-8,10H,9,11,17H2
InChIKeySYVNACXDRDDPQW-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.94
Rot. Bonds5

About 2-amino-2-phenyl-4-pyridin-2-ylsulfanylbutanenitrile

2-amino-2-phenyl-4-pyridin-2-ylsulfanylbutanenitrile (PubChem CID 116693137) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-amino-2-phenyl-4-pyridin-2-ylsulfanylbutanenitrile.

Molecular Properties

Compound Name2-amino-2-phenyl-4-pyridin-2-ylsulfanylbutanenitrile
PubChem CID116693137
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name2-amino-2-phenyl-4-pyridin-2-ylsulfanylbutanenitrile
SMILESN#CC(N)(CCSc1ccccn1)c1ccccc1
InChIInChI=1S/C15H15N3S/c16-12-15(17,13-6-2-1-3-7-13)9-11-19-14-8-4-5-10-18-14/h1-8,10H,9,11,17H2
InChIKeySYVNACXDRDDPQW-UHFFFAOYSA-N
XLogP2.94
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenylbutanenitrile
CID 116693277
(2S)-2-amino-2-methyl-4-pyridin-2-ylsulfanylbutanoic acid
CID 172812475
5-pyridin-2-ylsulfanylpentanenitrile
CID 19843929
2-amino-4-[(4-chlorophenyl)methylsulfanyl]-2-phenylbutanenitrile
CID 114791605
2-amino-4-(3-hydroxy-2-methylpropyl)sulfanyl-2-phenylbutanenitrile
CID 116693415
2-amino-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-phenylbutanenitrile
CID 116692734
2-amino-4-(cyclopentylmethylsulfanyl)-2-phenylbutanenitrile
CID 116693340
2-(3-amino-3-cyano-3-phenylpropyl)sulfanyl-N-methylacetamide
CID 114231878
2-but-3-enylsulfanylpyridine
CID 15727474
2-ethyl-2-(propylamino)-5-pyridin-2-ylsulfanylpentanenitrile
CID 106805180
2-(2,2-dimethylpropylsulfanyl)pyridine
CID 20674343
2-amino-4-[(3-methylphenyl)methylsulfanyl]-2-phenylbutanenitrile
CID 116693299

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-4-pyridin-2-ylsulfanylbutanenitrile?
The IUPAC name of 2-amino-2-phenyl-4-pyridin-2-ylsulfanylbutanenitrile (CID 116693137) is 2-amino-2-phenyl-4-pyridin-2-ylsulfanylbutanenitrile.
What is the SMILES notation for 2-amino-2-phenyl-4-pyridin-2-ylsulfanylbutanenitrile?
The canonical SMILES for 2-amino-2-phenyl-4-pyridin-2-ylsulfanylbutanenitrile is N#CC(N)(CCSc1ccccn1)c1ccccc1.
What is the InChIKey of 2-amino-2-phenyl-4-pyridin-2-ylsulfanylbutanenitrile?
The InChIKey is SYVNACXDRDDPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c16-12-15(17,13-6-2-1-3-7-13)9-11-19-14-8-4-5-10-18-14/h1-8,10H,9,11,17H2.
What are the key properties of 2-amino-2-phenyl-4-pyridin-2-ylsulfanylbutanenitrile?
2-amino-2-phenyl-4-pyridin-2-ylsulfanylbutanenitrile has a molecular weight of 269.37 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-4-pyridin-2-ylsulfanylbutanenitrile is sourced from PubChem (CID 116693137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).