2-[(3S)-pyrrolidin-3-yl]sulfanylpyridine-3-carbonitrile

C10H11N3S — CID 71643635

IUPAC2-[(3S)-pyrrolidin-3-yl]sulfanylpyridine-3-carbonitrile
SMILESN#Cc1cccnc1S[C@H]1CCNC1
InChIInChI=1S/C10H11N3S/c11-6-8-2-1-4-13-10(8)14-9-3-5-12-7-9/h1-2,4,9,12H,3,5,7H2/t9-/m0/s1
InChIKeyJGWRRMAUSMVJCA-VIFPVBQESA-N
MW205.29 g/mol
LogP1.41
Rot. Bonds2

About 2-[(3S)-pyrrolidin-3-yl]sulfanylpyridine-3-carbonitrile

2-[(3S)-pyrrolidin-3-yl]sulfanylpyridine-3-carbonitrile (PubChem CID 71643635) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 2-[(3S)-pyrrolidin-3-yl]sulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3S)-pyrrolidin-3-yl]sulfanylpyridine-3-carbonitrile
PubChem CID71643635
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name2-[(3S)-pyrrolidin-3-yl]sulfanylpyridine-3-carbonitrile
SMILESN#Cc1cccnc1S[C@H]1CCNC1
InChIInChI=1S/C10H11N3S/c11-6-8-2-1-4-13-10(8)14-9-3-5-12-7-9/h1-2,4,9,12H,3,5,7H2/t9-/m0/s1
InChIKeyJGWRRMAUSMVJCA-VIFPVBQESA-N
XLogP1.41
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-piperidin-3-yl]sulfanylpyridine-3-carbonitrile
CID 97165150
2-(3-methylcyclohexyl)sulfanylpyridine-3-carbonitrile
CID 62721346
2-pyrrolidin-3-ylsulfanylpyridine-4-carbonitrile
CID 71643728
2-(2-methyloxolan-3-yl)sulfanylpyridine-3-carbonitrile
CID 103846679
4-pyrrolidin-3-ylsulfanylbenzonitrile
CID 146510294
3-nitro-2-piperidin-3-ylsulfanylpyridine;hydrochloride
CID 71635674
2-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridine-3-carbonitrile;hydrochloride
CID 170987698
2-(pyrrolidin-2-ylmethylsulfanyl)pyridine-3-carbonitrile
CID 71643645
2-(azetidin-3-yl)pyridine-3-carbonitrile
CID 67323023
3-phenylsulfanylpyrrolidine
CID 18337182
2-piperidin-3-ylsulfinylpyridine-3-carbonitrile
CID 71645971
2-[(2R)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 94546211

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-pyrrolidin-3-yl]sulfanylpyridine-3-carbonitrile?
The IUPAC name of 2-[(3S)-pyrrolidin-3-yl]sulfanylpyridine-3-carbonitrile (CID 71643635) is 2-[(3S)-pyrrolidin-3-yl]sulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3S)-pyrrolidin-3-yl]sulfanylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(3S)-pyrrolidin-3-yl]sulfanylpyridine-3-carbonitrile is N#Cc1cccnc1S[C@H]1CCNC1.
What is the InChIKey of 2-[(3S)-pyrrolidin-3-yl]sulfanylpyridine-3-carbonitrile?
The InChIKey is JGWRRMAUSMVJCA-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11N3S/c11-6-8-2-1-4-13-10(8)14-9-3-5-12-7-9/h1-2,4,9,12H,3,5,7H2/t9-/m0/s1.
What are the key properties of 2-[(3S)-pyrrolidin-3-yl]sulfanylpyridine-3-carbonitrile?
2-[(3S)-pyrrolidin-3-yl]sulfanylpyridine-3-carbonitrile has a molecular weight of 205.29 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-pyrrolidin-3-yl]sulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 71643635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).