4-methyl-3-[(Z)-prop-1-enyl]-2-thia-8-azaspiro[4.5]dec-3-ene

C12H19NS — CID 142139242

IUPAC4-methyl-3-[(Z)-prop-1-enyl]-2-thia-8-azaspiro[4.5]dec-3-ene
SMILESC/C=C\C1=C(C)C2(CCNCC2)CS1
InChIInChI=1S/C12H19NS/c1-3-4-11-10(2)12(9-14-11)5-7-13-8-6-12/h3-4,13H,5-9H2,1-2H3/b4-3-
InChIKeyTVKAXANOMCQXOQ-ARJAWSKDSA-N
MW209.36 g/mol
LogP2.95
Rot. Bonds1

About 4-methyl-3-[(Z)-prop-1-enyl]-2-thia-8-azaspiro[4.5]dec-3-ene

4-methyl-3-[(Z)-prop-1-enyl]-2-thia-8-azaspiro[4.5]dec-3-ene (PubChem CID 142139242) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 4-methyl-3-[(Z)-prop-1-enyl]-2-thia-8-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name4-methyl-3-[(Z)-prop-1-enyl]-2-thia-8-azaspiro[4.5]dec-3-ene
PubChem CID142139242
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name4-methyl-3-[(Z)-prop-1-enyl]-2-thia-8-azaspiro[4.5]dec-3-ene
SMILESC/C=C\C1=C(C)C2(CCNCC2)CS1
InChIInChI=1S/C12H19NS/c1-3-4-11-10(2)12(9-14-11)5-7-13-8-6-12/h3-4,13H,5-9H2,1-2H3/b4-3-
InChIKeyTVKAXANOMCQXOQ-ARJAWSKDSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-Cyclohexa-2,4-dien-1-ylsulfanylethyl)piperidine
CID 91246908
N-pentyl-2,3,3a,7a-tetrahydro-1-benzothiophen-2-amine
CID 91300174
4-[(5-methyl-4H-thiopyran-2-yl)methylidene]piperidine
CID 123443076
2-methylidene-5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridine
CID 129089016
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
Ethane;3-ethenyl-4-methyl-2-methylsulfanyl-8-azaspiro[4.5]dec-3-ene
CID 141908181
4-[(1Z)-buta-1,3-dienyl]-3-methyl-2-thia-8-azaspiro[4.5]dec-3-ene;ethane
CID 141908667
3,4-Bis(ethenyl)-8-methyl-2-thia-8-azaspiro[4.5]dec-3-ene
CID 141944330
4-[(1Z)-buta-1,3-dienyl]-3,8-dimethyl-2-thia-8-azaspiro[4.5]dec-3-ene;ethane
CID 141944395
ethane;spiro[6,7-dihydro-2H-1-benzothiophene-3,4'-piperidine]
CID 142015041
4-[(1Z)-buta-1,3-dienyl]-3-ethenyl-2-thia-8-azaspiro[4.5]dec-3-ene;ethane
CID 142015385

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(Z)-prop-1-enyl]-2-thia-8-azaspiro[4.5]dec-3-ene?
The IUPAC name of 4-methyl-3-[(Z)-prop-1-enyl]-2-thia-8-azaspiro[4.5]dec-3-ene (CID 142139242) is 4-methyl-3-[(Z)-prop-1-enyl]-2-thia-8-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for 4-methyl-3-[(Z)-prop-1-enyl]-2-thia-8-azaspiro[4.5]dec-3-ene?
The canonical SMILES for 4-methyl-3-[(Z)-prop-1-enyl]-2-thia-8-azaspiro[4.5]dec-3-ene is C/C=C\C1=C(C)C2(CCNCC2)CS1.
What is the InChIKey of 4-methyl-3-[(Z)-prop-1-enyl]-2-thia-8-azaspiro[4.5]dec-3-ene?
The InChIKey is TVKAXANOMCQXOQ-ARJAWSKDSA-N. The full InChI is InChI=1S/C12H19NS/c1-3-4-11-10(2)12(9-14-11)5-7-13-8-6-12/h3-4,13H,5-9H2,1-2H3/b4-3-.
What are the key properties of 4-methyl-3-[(Z)-prop-1-enyl]-2-thia-8-azaspiro[4.5]dec-3-ene?
4-methyl-3-[(Z)-prop-1-enyl]-2-thia-8-azaspiro[4.5]dec-3-ene has a molecular weight of 209.36 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(Z)-prop-1-enyl]-2-thia-8-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 142139242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).