2-thiomorpholin-4-ylpyridine-3-carbonitrile

C10H11N3S — CID 28787469

IUPAC2-thiomorpholin-4-ylpyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCSCC1
InChIInChI=1S/C10H11N3S/c11-8-9-2-1-3-12-10(9)13-4-6-14-7-5-13/h1-3H,4-7H2
InChIKeyALFWVFPZYIPQKS-UHFFFAOYSA-N
MW205.29 g/mol
LogP1.51
Rot. Bonds1

About 2-thiomorpholin-4-ylpyridine-3-carbonitrile

2-thiomorpholin-4-ylpyridine-3-carbonitrile (PubChem CID 28787469) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 2-thiomorpholin-4-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-thiomorpholin-4-ylpyridine-3-carbonitrile
PubChem CID28787469
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name2-thiomorpholin-4-ylpyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCSCC1
InChIInChI=1S/C10H11N3S/c11-8-9-2-1-3-12-10(9)13-4-6-14-7-5-13/h1-3H,4-7H2
InChIKeyALFWVFPZYIPQKS-UHFFFAOYSA-N
XLogP1.51
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride
CID 163329752
2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 78845359
2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carbonitrile
CID 17221175
2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 71873772
2-(3-azabicyclo[4.1.0]heptan-3-yl)pyridine-3-carbonitrile
CID 117045417
2-(4,4-dimethylazepan-1-yl)pyridine-3-carbonitrile
CID 65281203
2-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 58826334
2-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 55210322
2-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 171335886
2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 15124573
3-(1,3-thiazolidin-3-yl)pyrazine-2-carbonitrile
CID 126993543
2-(3-piperazin-1-ylazetidin-1-yl)pyridine-3-carbonitrile
CID 66195251

Frequently Asked Questions

What is the IUPAC name of 2-thiomorpholin-4-ylpyridine-3-carbonitrile?
The IUPAC name of 2-thiomorpholin-4-ylpyridine-3-carbonitrile (CID 28787469) is 2-thiomorpholin-4-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-thiomorpholin-4-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-thiomorpholin-4-ylpyridine-3-carbonitrile is N#Cc1cccnc1N1CCSCC1.
What is the InChIKey of 2-thiomorpholin-4-ylpyridine-3-carbonitrile?
The InChIKey is ALFWVFPZYIPQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c11-8-9-2-1-3-12-10(9)13-4-6-14-7-5-13/h1-3H,4-7H2.
What are the key properties of 2-thiomorpholin-4-ylpyridine-3-carbonitrile?
2-thiomorpholin-4-ylpyridine-3-carbonitrile has a molecular weight of 205.29 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiomorpholin-4-ylpyridine-3-carbonitrile is sourced from PubChem (CID 28787469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).