2-(pyrrolidin-2-ylmethylsulfanyl)pyridine-3-carbonitrile

C11H13N3S — CID 71643645

IUPAC2-(pyrrolidin-2-ylmethylsulfanyl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1SCC1CCCN1
InChIInChI=1S/C11H13N3S/c12-7-9-3-1-6-14-11(9)15-8-10-4-2-5-13-10/h1,3,6,10,13H,2,4-5,8H2
InChIKeyBUFUQRGSAWPNFZ-UHFFFAOYSA-N
MW219.31 g/mol
LogP1.80
Rot. Bonds3

About 2-(pyrrolidin-2-ylmethylsulfanyl)pyridine-3-carbonitrile

2-(pyrrolidin-2-ylmethylsulfanyl)pyridine-3-carbonitrile (PubChem CID 71643645) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-(pyrrolidin-2-ylmethylsulfanyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(pyrrolidin-2-ylmethylsulfanyl)pyridine-3-carbonitrile
PubChem CID71643645
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name2-(pyrrolidin-2-ylmethylsulfanyl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1SCC1CCCN1
InChIInChI=1S/C11H13N3S/c12-7-9-3-1-6-14-11(9)15-8-10-4-2-5-13-10/h1,3,6,10,13H,2,4-5,8H2
InChIKeyBUFUQRGSAWPNFZ-UHFFFAOYSA-N
XLogP1.80
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine-4-carbonitrile
CID 97165172
2-[(3S)-piperidin-3-yl]sulfanylpyridine-3-carbonitrile
CID 97165150
2-[[(2R)-piperidin-2-yl]methylsulfonyl]pyridine-3-carbonitrile
CID 97165916
2-[[(2R)-pyrrolidin-2-yl]methoxy]benzonitrile
CID 94406444
2-(piperidin-2-ylmethylsulfonyl)pyridine-3-carbonitrile;hydrochloride
CID 71645669
4-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]quinazoline
CID 102820335
2-[(4-cyanophenyl)methylsulfanyl]pyridine-3-carbonitrile
CID 25252574
2-[(3S)-pyrrolidin-3-yl]sulfanylpyridine-3-carbonitrile
CID 71643635
4-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
CID 102820373
3-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 106618513
2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-imidazole
CID 107781577
5-nitro-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine
CID 97177883

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-2-ylmethylsulfanyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(pyrrolidin-2-ylmethylsulfanyl)pyridine-3-carbonitrile (CID 71643645) is 2-(pyrrolidin-2-ylmethylsulfanyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(pyrrolidin-2-ylmethylsulfanyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(pyrrolidin-2-ylmethylsulfanyl)pyridine-3-carbonitrile is N#Cc1cccnc1SCC1CCCN1.
What is the InChIKey of 2-(pyrrolidin-2-ylmethylsulfanyl)pyridine-3-carbonitrile?
The InChIKey is BUFUQRGSAWPNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c12-7-9-3-1-6-14-11(9)15-8-10-4-2-5-13-10/h1,3,6,10,13H,2,4-5,8H2.
What are the key properties of 2-(pyrrolidin-2-ylmethylsulfanyl)pyridine-3-carbonitrile?
2-(pyrrolidin-2-ylmethylsulfanyl)pyridine-3-carbonitrile has a molecular weight of 219.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-2-ylmethylsulfanyl)pyridine-3-carbonitrile is sourced from PubChem (CID 71643645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).