(3S)-3-pyridin-3-ylthiomorpholine

C9H12N2S — CID 26369463

IUPAC(3S)-3-pyridin-3-ylthiomorpholine
SMILESc1cncc([C@H]2CSCCN2)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/t9-/m1/s1
InChIKeyVMUCLRLJLVBTPL-SECBINFHSA-N
MW180.28 g/mol
LogP1.46
Rot. Bonds1

About (3S)-3-pyridin-3-ylthiomorpholine

(3S)-3-pyridin-3-ylthiomorpholine (PubChem CID 26369463) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is (3S)-3-pyridin-3-ylthiomorpholine.

Molecular Properties

Compound Name(3S)-3-pyridin-3-ylthiomorpholine
PubChem CID26369463
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name(3S)-3-pyridin-3-ylthiomorpholine
SMILESc1cncc([C@H]2CSCCN2)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/t9-/m1/s1
InChIKeyVMUCLRLJLVBTPL-SECBINFHSA-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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Frequently Asked Questions

What is the IUPAC name of (3S)-3-pyridin-3-ylthiomorpholine?
The IUPAC name of (3S)-3-pyridin-3-ylthiomorpholine (CID 26369463) is (3S)-3-pyridin-3-ylthiomorpholine.
What is the SMILES notation for (3S)-3-pyridin-3-ylthiomorpholine?
The canonical SMILES for (3S)-3-pyridin-3-ylthiomorpholine is c1cncc([C@H]2CSCCN2)c1.
What is the InChIKey of (3S)-3-pyridin-3-ylthiomorpholine?
The InChIKey is VMUCLRLJLVBTPL-SECBINFHSA-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/t9-/m1/s1.
What are the key properties of (3S)-3-pyridin-3-ylthiomorpholine?
(3S)-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 (3S)-3-pyridin-3-ylthiomorpholine is sourced from PubChem (CID 26369463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).