2-[(3-amino-4-pyridinyl)sulfanylmethyl]benzonitrile

C13H11N3S — CID 43299591

IUPAC2-[(3-amino-4-pyridinyl)sulfanylmethyl]benzonitrile
SMILESN#Cc1ccccc1CSc1ccncc1N
InChIInChI=1S/C13H11N3S/c14-7-10-3-1-2-4-11(10)9-17-13-5-6-16-8-12(13)15/h1-6,8H,9,15H2
InChIKeyOUFNQSQDYRZYSM-UHFFFAOYSA-N
MW241.32 g/mol
LogP2.83
Rot. Bonds3

About 2-[(3-amino-4-pyridinyl)sulfanylmethyl]benzonitrile

2-[(3-amino-4-pyridinyl)sulfanylmethyl]benzonitrile (PubChem CID 43299591) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-[(3-amino-4-pyridinyl)sulfanylmethyl]benzonitrile.

Molecular Properties

Compound Name2-[(3-amino-4-pyridinyl)sulfanylmethyl]benzonitrile
PubChem CID43299591
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name2-[(3-amino-4-pyridinyl)sulfanylmethyl]benzonitrile
SMILESN#Cc1ccccc1CSc1ccncc1N
InChIInChI=1S/C13H11N3S/c14-7-10-3-1-2-4-11(10)9-17-13-5-6-16-8-12(13)15/h1-6,8H,9,15H2
InChIKeyOUFNQSQDYRZYSM-UHFFFAOYSA-N
XLogP2.83
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-amino-4-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 62894086
2-[(3-amino-4-pyridinyl)sulfanylmethyl]indolizine-1-carbonitrile
CID 43299742
4-[(2-nitrophenyl)methylsulfanyl]pyridin-3-amine
CID 43300122
4-[(2,3-dichlorophenyl)methylsulfanyl]pyridin-3-amine
CID 107306654
2-[(2-amino-5-fluorophenyl)sulfanylmethyl]benzonitrile
CID 79148127
methyl 2-[2-[(3-amino-4-pyridinyl)sulfanylmethyl]phenyl]acetate
CID 115460918
4-[(4-nitrophenyl)methylsulfanyl]pyridin-3-amine
CID 43299910
N-[2-[(3-amino-4-pyridinyl)sulfanylmethyl]phenyl]-3,5-dimethoxybenzamide
CID 143409221
4-[(2-bromo-4-fluorophenyl)methylsulfanyl]pyridin-3-amine
CID 43300126
4-[(3-fluorophenyl)methylsulfanyl]pyridin-3-amine
CID 43300012
2-amino-3-[(2-methylphenyl)methylsulfanyl]benzonitrile
CID 104717557
4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyridin-3-amine
CID 43299550

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-pyridinyl)sulfanylmethyl]benzonitrile?
The IUPAC name of 2-[(3-amino-4-pyridinyl)sulfanylmethyl]benzonitrile (CID 43299591) is 2-[(3-amino-4-pyridinyl)sulfanylmethyl]benzonitrile.
What is the SMILES notation for 2-[(3-amino-4-pyridinyl)sulfanylmethyl]benzonitrile?
The canonical SMILES for 2-[(3-amino-4-pyridinyl)sulfanylmethyl]benzonitrile is N#Cc1ccccc1CSc1ccncc1N.
What is the InChIKey of 2-[(3-amino-4-pyridinyl)sulfanylmethyl]benzonitrile?
The InChIKey is OUFNQSQDYRZYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c14-7-10-3-1-2-4-11(10)9-17-13-5-6-16-8-12(13)15/h1-6,8H,9,15H2.
What are the key properties of 2-[(3-amino-4-pyridinyl)sulfanylmethyl]benzonitrile?
2-[(3-amino-4-pyridinyl)sulfanylmethyl]benzonitrile has a molecular weight of 241.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-pyridinyl)sulfanylmethyl]benzonitrile is sourced from PubChem (CID 43299591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).