3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]thiomorpholine

C11H20N2S — CID 106314849

IUPAC3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]thiomorpholine
SMILESCC1=CCCN(CC2CSCCN2)C1
InChIInChI=1S/C11H20N2S/c1-10-3-2-5-13(7-10)8-11-9-14-6-4-12-11/h3,11-12H,2,4-9H2,1H3
InChIKeyBHWWHRJFAOAQBL-UHFFFAOYSA-N
MW212.36 g/mol
LogP1.34
Rot. Bonds2

About 3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]thiomorpholine

3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]thiomorpholine (PubChem CID 106314849) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]thiomorpholine.

Molecular Properties

Compound Name3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]thiomorpholine
PubChem CID106314849
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]thiomorpholine
SMILESCC1=CCCN(CC2CSCCN2)C1
InChIInChI=1S/C11H20N2S/c1-10-3-2-5-13(7-10)8-11-9-14-6-4-12-11/h3,11-12H,2,4-9H2,1H3
InChIKeyBHWWHRJFAOAQBL-UHFFFAOYSA-N
XLogP1.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 51.34
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

3-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]thiomorpholine
CID 113591701
3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiomorpholine
CID 113591702
1-[1-[(E)-2-methylbut-1-enyl]sulfanylcyclobut-2-en-1-yl]piperazine
CID 89040827
1-(8aH-thiochromen-4-yl)-2-methylpiperazine
CID 123332781
(5S)-2-ethyl-5-[(1Z)-3-methyl-1-methylsulfanylbuta-1,3-dienyl]piperazine
CID 155383224
1-tert-butylsulfanyl-4-methyl-N-propylpent-3-en-2-amine
CID 79177288
1-ethylsulfanyl-4-methyl-N-propylpent-3-en-2-amine
CID 79178606
1-butan-2-ylsulfanyl-4-methyl-N-propylpent-3-en-2-amine
CID 79179049
4-methyl-N-propyl-1-propylsulfanylpent-3-en-2-amine
CID 79179263
4-methyl-1-propan-2-ylsulfanyl-N-propylpent-3-en-2-amine
CID 79179904
1-(1,4-dithian-2-yl)-3-methyl-N-propylbut-2-en-1-amine
CID 79965751
1-(1,4-dithian-2-yl)-N-ethyl-3-methylbut-2-en-1-amine
CID 79971805

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]thiomorpholine?
The IUPAC name of 3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]thiomorpholine (CID 106314849) is 3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]thiomorpholine.
What is the SMILES notation for 3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]thiomorpholine?
The canonical SMILES for 3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]thiomorpholine is CC1=CCCN(CC2CSCCN2)C1.
What is the InChIKey of 3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]thiomorpholine?
The InChIKey is BHWWHRJFAOAQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-10-3-2-5-13(7-10)8-11-9-14-6-4-12-11/h3,11-12H,2,4-9H2,1H3.
What are the key properties of 3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]thiomorpholine?
3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]thiomorpholine has a molecular weight of 212.36 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]thiomorpholine is sourced from PubChem (CID 106314849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).