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

C13H21NS — CID 142139245

IUPAC4-ethyl-3-[(Z)-prop-1-enyl]-1-thia-8-azaspiro[4.5]dec-3-ene
SMILESC/C=C\C1=C(CC)C2(CCNCC2)SC1
InChIInChI=1S/C13H21NS/c1-3-5-11-10-15-13(12(11)4-2)6-8-14-9-7-13/h3,5,14H,4,6-10H2,1-2H3/b5-3-
InChIKeyCKHIAFYCMBWGAY-HYXAFXHYSA-N
MW223.38 g/mol
LogP3.14
Rot. Bonds2

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

4-ethyl-3-[(Z)-prop-1-enyl]-1-thia-8-azaspiro[4.5]dec-3-ene (PubChem CID 142139245) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 4-ethyl-3-[(Z)-prop-1-enyl]-1-thia-8-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name4-ethyl-3-[(Z)-prop-1-enyl]-1-thia-8-azaspiro[4.5]dec-3-ene
PubChem CID142139245
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name4-ethyl-3-[(Z)-prop-1-enyl]-1-thia-8-azaspiro[4.5]dec-3-ene
SMILESC/C=C\C1=C(CC)C2(CCNCC2)SC1
InChIInChI=1S/C13H21NS/c1-3-5-11-10-15-13(12(11)4-2)6-8-14-9-7-13/h3,5,14H,4,6-10H2,1-2H3/b5-3-
InChIKeyCKHIAFYCMBWGAY-HYXAFXHYSA-N
XLogP3.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.14
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
N-ethyl-3,3a,8,8a-tetrahydro-2H-cyclohepta[b]thiophen-3-amine
CID 91535702
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
3-[6-(2-cyclobutylethyl)-2H-thiopyran-5-yl]-N-methylbutan-1-amine
CID 132196172
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
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-ethyl-3-[(Z)-prop-1-enyl]-1-thia-8-azaspiro[4.5]dec-3-ene?
The IUPAC name of 4-ethyl-3-[(Z)-prop-1-enyl]-1-thia-8-azaspiro[4.5]dec-3-ene (CID 142139245) is 4-ethyl-3-[(Z)-prop-1-enyl]-1-thia-8-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for 4-ethyl-3-[(Z)-prop-1-enyl]-1-thia-8-azaspiro[4.5]dec-3-ene?
The canonical SMILES for 4-ethyl-3-[(Z)-prop-1-enyl]-1-thia-8-azaspiro[4.5]dec-3-ene is C/C=C\C1=C(CC)C2(CCNCC2)SC1.
What is the InChIKey of 4-ethyl-3-[(Z)-prop-1-enyl]-1-thia-8-azaspiro[4.5]dec-3-ene?
The InChIKey is CKHIAFYCMBWGAY-HYXAFXHYSA-N. The full InChI is InChI=1S/C13H21NS/c1-3-5-11-10-15-13(12(11)4-2)6-8-14-9-7-13/h3,5,14H,4,6-10H2,1-2H3/b5-3-.
What are the key properties of 4-ethyl-3-[(Z)-prop-1-enyl]-1-thia-8-azaspiro[4.5]dec-3-ene?
4-ethyl-3-[(Z)-prop-1-enyl]-1-thia-8-azaspiro[4.5]dec-3-ene has a molecular weight of 223.38 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[(Z)-prop-1-enyl]-1-thia-8-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 142139245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).