3-pyridin-3-ylthiomorpholine

C9H12N2S — CID 3873279

IUPAC3-pyridin-3-ylthiomorpholine
SMILESc1cncc(C2CSCCN2)c1
InChIInChI=1S/C9H12N2S/c1-2-8(6-10-3-1)9-7-12-5-4-11-9/h1-3,6,9,11H,4-5,7H2
InChIKeyVMUCLRLJLVBTPL-UHFFFAOYSA-N
MW180.28 g/mol
LogP1.46
Rot. Bonds1

About 3-pyridin-3-ylthiomorpholine

3-pyridin-3-ylthiomorpholine (PubChem CID 3873279) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 3-pyridin-3-ylthiomorpholine.

Molecular Properties

Compound Name3-pyridin-3-ylthiomorpholine
PubChem CID3873279
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name3-pyridin-3-ylthiomorpholine
SMILESc1cncc(C2CSCCN2)c1
InChIInChI=1S/C9H12N2S/c1-2-8(6-10-3-1)9-7-12-5-4-11-9/h1-3,6,9,11H,4-5,7H2
InChIKeyVMUCLRLJLVBTPL-UHFFFAOYSA-N
XLogP1.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-pyridin-3-ylthiomorpholine
CID 26369463
3-[(2S)-aziridin-2-yl]pyridine
CID 55263397
2-pyridin-3-ylpiperazine
CID 3872289
(3R)-3-(3-methoxyphenyl)thiomorpholine
CID 51401832
N-(pyridin-3-ylmethyl)thiomorpholine-3-carboxamide
CID 82906473
N-pyridin-3-ylthiomorpholine-3-carboxamide
CID 82905944
oxalic acid;3-pyrrolidin-2-ylpyridine
CID 45156454
3-[(2R,4S)-4-(trifluoromethyl)piperidin-2-yl]pyridine
CID 176898727
N-methyl-N-(pyridin-3-ylmethyl)-1-thiomorpholin-3-ylmethanamine
CID 82916326
2-thiomorpholin-3-yl-[1,3]oxazolo[4,5-b]pyridine
CID 83871240
acetic acid;3-piperidin-2-ylpyridine
CID 175134059
3-(4-ethoxyphenyl)thiomorpholine
CID 54164455

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-ylthiomorpholine?
The IUPAC name of 3-pyridin-3-ylthiomorpholine (CID 3873279) is 3-pyridin-3-ylthiomorpholine.
What is the SMILES notation for 3-pyridin-3-ylthiomorpholine?
The canonical SMILES for 3-pyridin-3-ylthiomorpholine is c1cncc(C2CSCCN2)c1.
What is the InChIKey of 3-pyridin-3-ylthiomorpholine?
The InChIKey is VMUCLRLJLVBTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-2-8(6-10-3-1)9-7-12-5-4-11-9/h1-3,6,9,11H,4-5,7H2.
What are the key properties of 3-pyridin-3-ylthiomorpholine?
3-pyridin-3-ylthiomorpholine has a molecular weight of 180.28 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-ylthiomorpholine is sourced from PubChem (CID 3873279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).