4-[(5-methyl-4H-thiopyran-2-yl)methylidene]piperidine

C12H17NS — CID 123443076

IUPAC4-[(5-methyl-4H-thiopyran-2-yl)methylidene]piperidine
SMILESCC1=CSC(C=C2CCNCC2)=CC1
InChIInChI=1S/C12H17NS/c1-10-2-3-12(14-9-10)8-11-4-6-13-7-5-11/h3,8-9,13H,2,4-7H2,1H3
InChIKeyWMFAFEHJYJVMSN-UHFFFAOYSA-N
MW207.34 g/mol
LogP3.22
Rot. Bonds1

About 4-[(5-methyl-4H-thiopyran-2-yl)methylidene]piperidine

4-[(5-methyl-4H-thiopyran-2-yl)methylidene]piperidine (PubChem CID 123443076) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 4-[(5-methyl-4H-thiopyran-2-yl)methylidene]piperidine.

Molecular Properties

Compound Name4-[(5-methyl-4H-thiopyran-2-yl)methylidene]piperidine
PubChem CID123443076
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name4-[(5-methyl-4H-thiopyran-2-yl)methylidene]piperidine
SMILESCC1=CSC(C=C2CCNCC2)=CC1
InChIInChI=1S/C12H17NS/c1-10-2-3-12(14-9-10)8-11-4-6-13-7-5-11/h3,8-9,13H,2,4-7H2,1H3
InChIKeyWMFAFEHJYJVMSN-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-Fluorocyclohepta-1,4,6-trien-1-yl)methylsulfanyl]piperidine
CID 142816289
2,3,4,7-tetrahydro-1H-thiopyrano[4,3-b]pyridine
CID 89384062
3-(1-Cyclohexa-2,4-dien-1-ylsulfanylethyl)piperidine
CID 91246908
5-[2-methyl-1-[(Z)-prop-1-enyl]sulfanylprop-1-enyl]-2,3,4,7-tetrahydro-1H-azepine
CID 129084258
2-methylidene-5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridine
CID 129089016
1,1,1-Trimethyl-5,6,7,8-tetrahydrothiopyrano[3,2-c]pyridine
CID 137395678
4-[Cyclohexa-1,5-dien-1-yl(2,3-dihydrothiophen-2-yl)methylidene]piperidine
CID 141793653
3,4-Bis(ethenyl)-1-thia-8-azaspiro[4.5]dec-3-ene
CID 141834193
4-[(1Z)-buta-1,3-dienyl]-3-methyl-2-thia-8-azaspiro[4.5]dec-3-ene;ethane
CID 141908667
ethane;spiro[6,7-dihydro-2H-1-benzothiophene-3,4'-piperidine]
CID 142015041
4-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanylpiperidine
CID 142028573
4-methyl-4-[(2E)-3-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfanylpiperidine
CID 142139236

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-4H-thiopyran-2-yl)methylidene]piperidine?
The IUPAC name of 4-[(5-methyl-4H-thiopyran-2-yl)methylidene]piperidine (CID 123443076) is 4-[(5-methyl-4H-thiopyran-2-yl)methylidene]piperidine.
What is the SMILES notation for 4-[(5-methyl-4H-thiopyran-2-yl)methylidene]piperidine?
The canonical SMILES for 4-[(5-methyl-4H-thiopyran-2-yl)methylidene]piperidine is CC1=CSC(C=C2CCNCC2)=CC1.
What is the InChIKey of 4-[(5-methyl-4H-thiopyran-2-yl)methylidene]piperidine?
The InChIKey is WMFAFEHJYJVMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-10-2-3-12(14-9-10)8-11-4-6-13-7-5-11/h3,8-9,13H,2,4-7H2,1H3.
What are the key properties of 4-[(5-methyl-4H-thiopyran-2-yl)methylidene]piperidine?
4-[(5-methyl-4H-thiopyran-2-yl)methylidene]piperidine has a molecular weight of 207.34 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-4H-thiopyran-2-yl)methylidene]piperidine is sourced from PubChem (CID 123443076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).