2-(pyrrolidin-2-ylmethylsulfinyl)pyridine-4-carbonitrile

C11H13N3OS — CID 71646106

IUPAC2-(pyrrolidin-2-ylmethylsulfinyl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(S(=O)CC2CCCN2)c1
InChIInChI=1S/C11H13N3OS/c12-7-9-3-5-14-11(6-9)16(15)8-10-2-1-4-13-10/h3,5-6,10,13H,1-2,4,8H2
InChIKeyXZRNIKFWCTYSPA-UHFFFAOYSA-N
MW235.31 g/mol
LogP0.81
Rot. Bonds3

About 2-(pyrrolidin-2-ylmethylsulfinyl)pyridine-4-carbonitrile

2-(pyrrolidin-2-ylmethylsulfinyl)pyridine-4-carbonitrile (PubChem CID 71646106) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-(pyrrolidin-2-ylmethylsulfinyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(pyrrolidin-2-ylmethylsulfinyl)pyridine-4-carbonitrile
PubChem CID71646106
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2-(pyrrolidin-2-ylmethylsulfinyl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(S(=O)CC2CCCN2)c1
InChIInChI=1S/C11H13N3OS/c12-7-9-3-5-14-11(6-9)16(15)8-10-2-1-4-13-10/h3,5-6,10,13H,1-2,4,8H2
InChIKeyXZRNIKFWCTYSPA-UHFFFAOYSA-N
XLogP0.81
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(S)-piperidin-4-ylmethylsulfinyl]pyridine-4-carbonitrile
CID 97166435
2-chloro-4-[(S)-[(2R)-pyrrolidin-2-yl]methylsulfinyl]pyrimidine
CID 97163785
2-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]pyridine
CID 97166204
2-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine-4-carbonitrile
CID 94406446
2-(piperidin-2-ylmethylsulfinyl)pyridine;hydrochloride
CID 71646077
2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine-4-carbonitrile
CID 97165172
2-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 71641983
2-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile;hydrochloride
CID 71641982
5-nitro-2-[(S)-[(2R)-pyrrolidin-2-yl]methylsulfinyl]pyridine
CID 97177866
tert-butyl (3S)-3-[[(R)-(4-cyano-2-pyridinyl)sulfinyl]methyl]piperidine-1-carboxylate
CID 97172550
2-bromo-6-(pyrrolidin-2-ylmethylsulfinyl)pyridine
CID 71636432
4-cyano-N-[[(2S)-piperidin-2-yl]methyl]pyridine-2-sulfonamide
CID 97166051

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-2-ylmethylsulfinyl)pyridine-4-carbonitrile?
The IUPAC name of 2-(pyrrolidin-2-ylmethylsulfinyl)pyridine-4-carbonitrile (CID 71646106) is 2-(pyrrolidin-2-ylmethylsulfinyl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(pyrrolidin-2-ylmethylsulfinyl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(pyrrolidin-2-ylmethylsulfinyl)pyridine-4-carbonitrile is N#Cc1ccnc(S(=O)CC2CCCN2)c1.
What is the InChIKey of 2-(pyrrolidin-2-ylmethylsulfinyl)pyridine-4-carbonitrile?
The InChIKey is XZRNIKFWCTYSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c12-7-9-3-5-14-11(6-9)16(15)8-10-2-1-4-13-10/h3,5-6,10,13H,1-2,4,8H2.
What are the key properties of 2-(pyrrolidin-2-ylmethylsulfinyl)pyridine-4-carbonitrile?
2-(pyrrolidin-2-ylmethylsulfinyl)pyridine-4-carbonitrile has a molecular weight of 235.31 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-2-ylmethylsulfinyl)pyridine-4-carbonitrile is sourced from PubChem (CID 71646106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).