(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-thiomorpholin-3-ylmethanone

C11H18N2OS — CID 106313979

IUPAC(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-thiomorpholin-3-ylmethanone
SMILESCC1=CCCN(C(=O)C2CSCCN2)C1
InChIInChI=1S/C11H18N2OS/c1-9-3-2-5-13(7-9)11(14)10-8-15-6-4-12-10/h3,10,12H,2,4-8H2,1H3
InChIKeyQLLWBAKEPRCXHQ-UHFFFAOYSA-N
MW226.34 g/mol
LogP0.87
Rot. Bonds1

About (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-thiomorpholin-3-ylmethanone

(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-thiomorpholin-3-ylmethanone (PubChem CID 106313979) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-thiomorpholin-3-ylmethanone.

Molecular Properties

Compound Name(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-thiomorpholin-3-ylmethanone
PubChem CID106313979
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-thiomorpholin-3-ylmethanone
SMILESCC1=CCCN(C(=O)C2CSCCN2)C1
InChIInChI=1S/C11H18N2OS/c1-9-3-2-5-13(7-9)11(14)10-8-15-6-4-12-10/h3,10,12H,2,4-8H2,1H3
InChIKeyQLLWBAKEPRCXHQ-UHFFFAOYSA-N
XLogP0.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 106313965
(4-hydroxy-4-methylpiperidin-1-yl)-thiomorpholin-3-ylmethanone
CID 82916453
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(2-methylpiperidin-4-yl)methanone
CID 106314070
(3-hydroxy-3-methylpyrrolidin-1-yl)-thiomorpholin-3-ylmethanone
CID 103355836
8-(thiomorpholine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82908979
(7,7-dimethyl-1,4-thiazepan-4-yl)-thiomorpholin-3-ylmethanone
CID 107454657
N-ethyl-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide
CID 82909327
(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-thiomorpholin-3-ylmethanone
CID 82908881
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106313762
cis-(1S,2R)-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 106313385
[2-(2-methylphenyl)pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone
CID 82908300
[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-thiomorpholin-3-ylmethanone
CID 82897958

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-thiomorpholin-3-ylmethanone?
The IUPAC name of (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-thiomorpholin-3-ylmethanone (CID 106313979) is (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-thiomorpholin-3-ylmethanone.
What is the SMILES notation for (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-thiomorpholin-3-ylmethanone?
The canonical SMILES for (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-thiomorpholin-3-ylmethanone is CC1=CCCN(C(=O)C2CSCCN2)C1.
What is the InChIKey of (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-thiomorpholin-3-ylmethanone?
The InChIKey is QLLWBAKEPRCXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9-3-2-5-13(7-9)11(14)10-8-15-6-4-12-10/h3,10,12H,2,4-8H2,1H3.
What are the key properties of (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-thiomorpholin-3-ylmethanone?
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-thiomorpholin-3-ylmethanone has a molecular weight of 226.34 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-thiomorpholin-3-ylmethanone is sourced from PubChem (CID 106313979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).