(3E,4Z)-3-ethylidene-4-propylidene-2-thia-8-azaspiro[4.5]decane

C13H21NS — CID 143809256

IUPAC(3E,4Z)-3-ethylidene-4-propylidene-2-thia-8-azaspiro[4.5]decane
SMILESC/C=C1/SCC2(CCNCC2)/C1=C/CC
InChIInChI=1S/C13H21NS/c1-3-5-11-12(4-2)15-10-13(11)6-8-14-9-7-13/h4-5,14H,3,6-10H2,1-2H3/b11-5+,12-4+
InChIKeyXQGZNPSDGUWHFJ-TZBUTISVSA-N
MW223.38 g/mol
LogP3.34
Rot. Bonds1

About (3E,4Z)-3-ethylidene-4-propylidene-2-thia-8-azaspiro[4.5]decane

(3E,4Z)-3-ethylidene-4-propylidene-2-thia-8-azaspiro[4.5]decane (PubChem CID 143809256) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is (3E,4Z)-3-ethylidene-4-propylidene-2-thia-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3E,4Z)-3-ethylidene-4-propylidene-2-thia-8-azaspiro[4.5]decane
PubChem CID143809256
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name(3E,4Z)-3-ethylidene-4-propylidene-2-thia-8-azaspiro[4.5]decane
SMILESC/C=C1/SCC2(CCNCC2)/C1=C/CC
InChIInChI=1S/C13H21NS/c1-3-5-11-12(4-2)15-10-13(11)6-8-14-9-7-13/h4-5,14H,3,6-10H2,1-2H3/b11-5+,12-4+
InChIKeyXQGZNPSDGUWHFJ-TZBUTISVSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
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
4-[(1Z)-buta-1,3-dienyl]-3-methyl-2-thia-8-azaspiro[4.5]dec-3-ene;ethane;ethene
CID 142015698
Spiro[2,8-dihydrocyclohepta[b]thiophene-3,4'-piperidine];hydrate
CID 142138352
4-methyl-4-[(2E)-3-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfanylpiperidine
CID 142139236
4-methyl-3-[(Z)-prop-1-enyl]-2-thia-8-azaspiro[4.5]dec-3-ene
CID 142139242
ethane;4-ethyl-3-[(Z)-prop-1-enyl]-1-thia-8-azaspiro[4.5]dec-3-ene
CID 142139244
4-[(3E)-4-methyl-3-methylsulfanylhexa-1,3,5-trien-2-yl]piperidine
CID 143150989

Frequently Asked Questions

What is the IUPAC name of (3E,4Z)-3-ethylidene-4-propylidene-2-thia-8-azaspiro[4.5]decane?
The IUPAC name of (3E,4Z)-3-ethylidene-4-propylidene-2-thia-8-azaspiro[4.5]decane (CID 143809256) is (3E,4Z)-3-ethylidene-4-propylidene-2-thia-8-azaspiro[4.5]decane.
What is the SMILES notation for (3E,4Z)-3-ethylidene-4-propylidene-2-thia-8-azaspiro[4.5]decane?
The canonical SMILES for (3E,4Z)-3-ethylidene-4-propylidene-2-thia-8-azaspiro[4.5]decane is C/C=C1/SCC2(CCNCC2)/C1=C/CC.
What is the InChIKey of (3E,4Z)-3-ethylidene-4-propylidene-2-thia-8-azaspiro[4.5]decane?
The InChIKey is XQGZNPSDGUWHFJ-TZBUTISVSA-N. The full InChI is InChI=1S/C13H21NS/c1-3-5-11-12(4-2)15-10-13(11)6-8-14-9-7-13/h4-5,14H,3,6-10H2,1-2H3/b11-5+,12-4+.
What are the key properties of (3E,4Z)-3-ethylidene-4-propylidene-2-thia-8-azaspiro[4.5]decane?
(3E,4Z)-3-ethylidene-4-propylidene-2-thia-8-azaspiro[4.5]decane has a molecular weight of 223.38 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z)-3-ethylidene-4-propylidene-2-thia-8-azaspiro[4.5]decane is sourced from PubChem (CID 143809256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).