5-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile

C16H20N4OS — CID 163356288

IUPAC5-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(N2CCC(C(=O)N3CCSCC3)CC2)cn1
InChIInChI=1S/C16H20N4OS/c17-11-14-1-2-15(12-18-14)19-5-3-13(4-6-19)16(21)20-7-9-22-10-8-20/h1-2,12-13H,3-10H2
InChIKeyCTUISIZZTCGFNW-UHFFFAOYSA-N
MW316.43 g/mol
LogP1.75
Rot. Bonds2

About 5-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile

5-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 163356288) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 5-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile
PubChem CID163356288
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name5-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(N2CCC(C(=O)N3CCSCC3)CC2)cn1
InChIInChI=1S/C16H20N4OS/c17-11-14-1-2-15(12-18-14)19-5-3-13(4-6-19)16(21)20-7-9-22-10-8-20/h1-2,12-13H,3-10H2
InChIKeyCTUISIZZTCGFNW-UHFFFAOYSA-N
XLogP1.75
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-cyano-3-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 163347938
5-(4-methylpiperidin-1-yl)pyridine-2-carbonitrile
CID 79839657
5-[4-[(2S,3R)-3-methyloxolane-2-carbonyl]piperazin-1-yl]pyridine-2-carbonitrile
CID 167910514
5-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 133369997
2-[1-(6-cyano-3-pyridinyl)piperidin-4-yl]ethyl acetate
CID 101468380
[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357788
[1-(3-fluoro-4-methylphenyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 11688373
5-[4-(2-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 115490407
fluoromethane;5-(4-piperidin-1-ylpiperidin-1-yl)pyridine-2-carbonitrile
CID 169148651
5-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 86778895
5-[4-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-1-yl]pyridine-2-carbonitrile
CID 97055762
5-morpholin-4-ylpyridine-2-carbonitrile
CID 43811106

Frequently Asked Questions

What is the IUPAC name of 5-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile (CID 163356288) is 5-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile is N#Cc1ccc(N2CCC(C(=O)N3CCSCC3)CC2)cn1.
What is the InChIKey of 5-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is CTUISIZZTCGFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c17-11-14-1-2-15(12-18-14)19-5-3-13(4-6-19)16(21)20-7-9-22-10-8-20/h1-2,12-13H,3-10H2.
What are the key properties of 5-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile?
5-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 316.43 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 163356288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).