2-pyrrolidin-3-ylsulfanylpyridine-4-carbonitrile

C10H11N3S — CID 71643728

IUPAC2-pyrrolidin-3-ylsulfanylpyridine-4-carbonitrile
SMILESN#Cc1ccnc(SC2CCNC2)c1
InChIInChI=1S/C10H11N3S/c11-6-8-1-4-13-10(5-8)14-9-2-3-12-7-9/h1,4-5,9,12H,2-3,7H2
InChIKeyKARNLNLRXXECQB-UHFFFAOYSA-N
MW205.29 g/mol
LogP1.41
Rot. Bonds2

About 2-pyrrolidin-3-ylsulfanylpyridine-4-carbonitrile

2-pyrrolidin-3-ylsulfanylpyridine-4-carbonitrile (PubChem CID 71643728) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 2-pyrrolidin-3-ylsulfanylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-pyrrolidin-3-ylsulfanylpyridine-4-carbonitrile
PubChem CID71643728
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name2-pyrrolidin-3-ylsulfanylpyridine-4-carbonitrile
SMILESN#Cc1ccnc(SC2CCNC2)c1
InChIInChI=1S/C10H11N3S/c11-6-8-1-4-13-10(5-8)14-9-2-3-12-7-9/h1,4-5,9,12H,2-3,7H2
InChIKeyKARNLNLRXXECQB-UHFFFAOYSA-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-4-carbonitrile
CID 97165168
4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfanylpyridine;hydrochloride
CID 71639006
2-[3-(trifluoromethyl)cyclobutyl]sulfanylpyridine-4-carbonitrile
CID 167949413
4-pyrrolidin-3-ylsulfanylbenzonitrile
CID 146510294
2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile;hydrochloride
CID 71643662
2-[(3S)-pyrrolidin-3-yl]sulfanylpyrazine
CID 71637184
2-[(3S)-pyrrolidin-3-yl]sulfanylpyridine-3-carbonitrile
CID 71643635
tert-butyl 4-[(4-cyano-2-pyridinyl)sulfanyl]piperidine-1-carboxylate
CID 71303112
2-(3-phenylmethoxycyclobutyl)sulfanylpyridine-4-carbonitrile
CID 146092439
2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine-4-carbonitrile
CID 97165172
2-[methyl-[(3R)-pyrrolidin-3-yl]amino]pyridine-4-carbonitrile
CID 71640983
2-[[(3S)-pyrrolidin-3-yl]methylsulfonyl]pyridine-4-carbonitrile
CID 97166008

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-ylsulfanylpyridine-4-carbonitrile?
The IUPAC name of 2-pyrrolidin-3-ylsulfanylpyridine-4-carbonitrile (CID 71643728) is 2-pyrrolidin-3-ylsulfanylpyridine-4-carbonitrile.
What is the SMILES notation for 2-pyrrolidin-3-ylsulfanylpyridine-4-carbonitrile?
The canonical SMILES for 2-pyrrolidin-3-ylsulfanylpyridine-4-carbonitrile is N#Cc1ccnc(SC2CCNC2)c1.
What is the InChIKey of 2-pyrrolidin-3-ylsulfanylpyridine-4-carbonitrile?
The InChIKey is KARNLNLRXXECQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c11-6-8-1-4-13-10(5-8)14-9-2-3-12-7-9/h1,4-5,9,12H,2-3,7H2.
What are the key properties of 2-pyrrolidin-3-ylsulfanylpyridine-4-carbonitrile?
2-pyrrolidin-3-ylsulfanylpyridine-4-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-pyrrolidin-3-ylsulfanylpyridine-4-carbonitrile is sourced from PubChem (CID 71643728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).