pyridin-2-yl-[(3S)-thiolan-3-yl]methanone

C10H11NOS — CID 99934837

IUPACpyridin-2-yl-[(3S)-thiolan-3-yl]methanone
SMILESO=C(c1ccccn1)[C@@H]1CCSC1
InChIInChI=1S/C10H11NOS/c12-10(8-4-6-13-7-8)9-3-1-2-5-11-9/h1-3,5,8H,4,6-7H2/t8-/m1/s1
InChIKeyQPGZKKOAOOEUSE-MRVPVSSYSA-N
MW193.27 g/mol
LogP2.02
Rot. Bonds2

About pyridin-2-yl-[(3S)-thiolan-3-yl]methanone

pyridin-2-yl-[(3S)-thiolan-3-yl]methanone (PubChem CID 99934837) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is pyridin-2-yl-[(3S)-thiolan-3-yl]methanone.

Molecular Properties

Compound Namepyridin-2-yl-[(3S)-thiolan-3-yl]methanone
PubChem CID99934837
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Namepyridin-2-yl-[(3S)-thiolan-3-yl]methanone
SMILESO=C(c1ccccn1)[C@@H]1CCSC1
InChIInChI=1S/C10H11NOS/c12-10(8-4-6-13-7-8)9-3-1-2-5-11-9/h1-3,5,8H,4,6-7H2/t8-/m1/s1
InChIKeyQPGZKKOAOOEUSE-MRVPVSSYSA-N
XLogP2.02
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

pyrazin-2-yl(thiolan-3-yl)methanone
CID 105101277
4-(pyridine-2-carbonyl)cyclohexane-1-carboxylic acid
CID 116918674
4-(pyridine-2-carbonyl)cyclohexan-1-one
CID 116920313
(3-aminocyclobutyl)-pyridin-2-ylmethanone
CID 116917775
3-(pyridine-2-carbonyl)oxolan-2-one
CID 24971718
oxiran-2-yl(pyridin-2-yl)methanone
CID 89057546
CID 87968844
CID 87968844
6-oxaspiro[4.5]decan-9-yl(pyridin-2-yl)methanone
CID 79913229
(3-chlorothiophen-2-yl)-(thiolan-3-yl)methanone
CID 115825950
(4-pyrimidin-2-ylpiperazin-1-yl)-(thiolan-3-yl)methanone
CID 110854975
N-(pyridin-2-ylmethyl)thiolan-3-amine
CID 43178951
(2-propan-2-yloxyphenyl)-(thiolan-3-yl)methanone
CID 105119937

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl-[(3S)-thiolan-3-yl]methanone?
The IUPAC name of pyridin-2-yl-[(3S)-thiolan-3-yl]methanone (CID 99934837) is pyridin-2-yl-[(3S)-thiolan-3-yl]methanone.
What is the SMILES notation for pyridin-2-yl-[(3S)-thiolan-3-yl]methanone?
The canonical SMILES for pyridin-2-yl-[(3S)-thiolan-3-yl]methanone is O=C(c1ccccn1)[C@@H]1CCSC1.
What is the InChIKey of pyridin-2-yl-[(3S)-thiolan-3-yl]methanone?
The InChIKey is QPGZKKOAOOEUSE-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11NOS/c12-10(8-4-6-13-7-8)9-3-1-2-5-11-9/h1-3,5,8H,4,6-7H2/t8-/m1/s1.
What are the key properties of pyridin-2-yl-[(3S)-thiolan-3-yl]methanone?
pyridin-2-yl-[(3S)-thiolan-3-yl]methanone has a molecular weight of 193.27 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl-[(3S)-thiolan-3-yl]methanone is sourced from PubChem (CID 99934837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).