7-ethyl-8-methylidene-2-thia-7,12-diazabicyclo[7.5.0]tetradeca-1(9),5-diene

C14H22N2S — CID 123675159

IUPAC7-ethyl-8-methylidene-2-thia-7,12-diazabicyclo[7.5.0]tetradeca-1(9),5-diene
SMILESC=C1C2=C(CCNCC2)SCCC=CN1CC
InChIInChI=1S/C14H22N2S/c1-3-16-10-4-5-11-17-14-7-9-15-8-6-13(14)12(16)2/h4,10,15H,2-3,5-9,11H2,1H3
InChIKeyVYTXYKCMOYUDKX-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.11
Rot. Bonds1

About 7-ethyl-8-methylidene-2-thia-7,12-diazabicyclo[7.5.0]tetradeca-1(9),5-diene

7-ethyl-8-methylidene-2-thia-7,12-diazabicyclo[7.5.0]tetradeca-1(9),5-diene (PubChem CID 123675159) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 7-ethyl-8-methylidene-2-thia-7,12-diazabicyclo[7.5.0]tetradeca-1(9),5-diene.

Molecular Properties

Compound Name7-ethyl-8-methylidene-2-thia-7,12-diazabicyclo[7.5.0]tetradeca-1(9),5-diene
PubChem CID123675159
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name7-ethyl-8-methylidene-2-thia-7,12-diazabicyclo[7.5.0]tetradeca-1(9),5-diene
SMILESC=C1C2=C(CCNCC2)SCCC=CN1CC
InChIInChI=1S/C14H22N2S/c1-3-16-10-4-5-11-17-14-7-9-15-8-6-13(14)12(16)2/h4,10,15H,2-3,5-9,11H2,1H3
InChIKeyVYTXYKCMOYUDKX-UHFFFAOYSA-N
XLogP3.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 139563718
ethane;(2E,5Z)-1-N-(2-ethylsulfanylethyl)-7-methyl-6-N-prop-2-enylocta-2,5,7-triene-1,6-diamine
CID 145617775
1-N-ethenyl-4-N-[3-methyl-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbut-3-en-2-yl]pent-4-ene-1,4-diamine
CID 146359034
(3E)-N-butyl-6-ethylsulfanylhepta-1,3-dien-4-amine
CID 155371754
(2S,3E)-5-methyl-N-(4-propylsulfanylbut-1-en-2-yl)hexa-3,5-dien-2-amine
CID 156073993
(9Z)-7,8-dimethyl-9-[(E)-pent-2-enylidene]-1,5,7,9a-tetrahydropyrido[2,3-e][1,3]thiazepine
CID 156300482
(9Z)-7-methyl-9-[(E)-pent-2-enylidene]-5,7,8,9a-tetrahydro-1H-pyrido[2,3-e][1,3]thiazepine
CID 156300495
1-[(2Z,4E)-1-methylsulfanylhepta-2,4-dien-4-yl]-5,6-dihydroindol-5-amine
CID 166842063
methanamine;(3E,5Z)-2-methyl-N-(2-methylsulfanylethyl)hepta-1,3,5-trien-3-amine
CID 168964961
1-(3-ethyl-4-methylsulfanylcyclopenta-1,3-dien-1-yl)-N-[(3-methylcyclohepta-1,3,5-trien-1-yl)methyl]ethenamine
CID 170389780
(2Z)-N-[(1Z)-buta-1,3-dienyl]-2-[[(1E,4E,6Z)-4-[1-(methylamino)ethyl]cycloocta-1,4,6-trien-1-yl]methylsulfanyl]penta-2,4-dien-1-amine
CID 173797626
N-ethyl-2-[(2E,4E,6E)-6-(1,3,3-trimethyl-6,7-dihydroindol-2-ylidene)hexa-2,4-dienyl]sulfanylcyclohepta-1,6-dien-1-amine
CID 142851764

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-8-methylidene-2-thia-7,12-diazabicyclo[7.5.0]tetradeca-1(9),5-diene?
The IUPAC name of 7-ethyl-8-methylidene-2-thia-7,12-diazabicyclo[7.5.0]tetradeca-1(9),5-diene (CID 123675159) is 7-ethyl-8-methylidene-2-thia-7,12-diazabicyclo[7.5.0]tetradeca-1(9),5-diene.
What is the SMILES notation for 7-ethyl-8-methylidene-2-thia-7,12-diazabicyclo[7.5.0]tetradeca-1(9),5-diene?
The canonical SMILES for 7-ethyl-8-methylidene-2-thia-7,12-diazabicyclo[7.5.0]tetradeca-1(9),5-diene is C=C1C2=C(CCNCC2)SCCC=CN1CC.
What is the InChIKey of 7-ethyl-8-methylidene-2-thia-7,12-diazabicyclo[7.5.0]tetradeca-1(9),5-diene?
The InChIKey is VYTXYKCMOYUDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-3-16-10-4-5-11-17-14-7-9-15-8-6-13(14)12(16)2/h4,10,15H,2-3,5-9,11H2,1H3.
What are the key properties of 7-ethyl-8-methylidene-2-thia-7,12-diazabicyclo[7.5.0]tetradeca-1(9),5-diene?
7-ethyl-8-methylidene-2-thia-7,12-diazabicyclo[7.5.0]tetradeca-1(9),5-diene has a molecular weight of 250.41 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-8-methylidene-2-thia-7,12-diazabicyclo[7.5.0]tetradeca-1(9),5-diene is sourced from PubChem (CID 123675159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).