2-ethyl-10-propyl-12-thia-15-azabicyclo[9.4.0]pentadec-1(11)-ene

C18H33NS — CID 143716445

IUPAC2-ethyl-10-propyl-12-thia-15-azabicyclo[9.4.0]pentadec-1(11)-ene
SMILESCCCC1CCCCCCCC(CC)C2=C1SCCN2
InChIInChI=1S/C18H33NS/c1-3-10-16-12-9-7-5-6-8-11-15(4-2)17-18(16)20-14-13-19-17/h15-16,19H,3-14H2,1-2H3
InChIKeyJGCZMGQKYGTJGT-UHFFFAOYSA-N
MW295.54 g/mol
LogP5.72
Rot. Bonds3

About 2-ethyl-10-propyl-12-thia-15-azabicyclo[9.4.0]pentadec-1(11)-ene

2-ethyl-10-propyl-12-thia-15-azabicyclo[9.4.0]pentadec-1(11)-ene (PubChem CID 143716445) has the molecular formula C18H33NS and a molecular weight of 295.54 g/mol. Its IUPAC name is 2-ethyl-10-propyl-12-thia-15-azabicyclo[9.4.0]pentadec-1(11)-ene.

Molecular Properties

Compound Name2-ethyl-10-propyl-12-thia-15-azabicyclo[9.4.0]pentadec-1(11)-ene
PubChem CID143716445
Molecular FormulaC18H33NS
Molecular Weight295.54 g/mol
Exact Mass295.23
IUPAC Name2-ethyl-10-propyl-12-thia-15-azabicyclo[9.4.0]pentadec-1(11)-ene
SMILESCCCC1CCCCCCCC(CC)C2=C1SCCN2
InChIInChI=1S/C18H33NS/c1-3-10-16-12-9-7-5-6-8-11-15(4-2)17-18(16)20-14-13-19-17/h15-16,19H,3-14H2,1-2H3
InChIKeyJGCZMGQKYGTJGT-UHFFFAOYSA-N
XLogP5.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.54
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-heptyl-6-hexan-3-yl-3,4-dihydro-2H-1,4-thiazine
CID 71089024
3,4,11-Trimethyl-2-thia-10-azabicyclo[5.5.0]dodec-1(7)-ene
CID 123469460
3,4-Dimethyl-2-thia-10-azabicyclo[5.5.0]dodec-1(7)-ene
CID 123798516
5-methylidene-N-[1-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]sulfanylpropan-2-yl]hept-1-en-2-amine
CID 134568497
3-(cyclohexylmethyl)-N-(2-methyl-3-methylsulfanylpropyl)pent-1-en-2-amine
CID 137466893
10-Ethyl-2-propyl-12-thia-15-azabicyclo[9.4.0]pentadec-1(11)-ene
CID 143716334
5-methyl-6-undecan-4-yl-3,4-dihydro-2H-1,4-thiazine
CID 143716348
5-Ethyl-11-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine
CID 143716398
2-Methyl-10-propyl-12-thia-15-azabicyclo[9.4.0]pentadec-1(11)-ene
CID 143716433
5,11-Dipropyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine
CID 143716495
6-methyl-5-undecan-4-yl-3,4-dihydro-2H-1,4-thiazine
CID 143716509
4-(6-propyl-3,4-dihydro-2H-1,4-thiazin-5-yl)heptan-1-amine
CID 143716566

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-10-propyl-12-thia-15-azabicyclo[9.4.0]pentadec-1(11)-ene?
The IUPAC name of 2-ethyl-10-propyl-12-thia-15-azabicyclo[9.4.0]pentadec-1(11)-ene (CID 143716445) is 2-ethyl-10-propyl-12-thia-15-azabicyclo[9.4.0]pentadec-1(11)-ene.
What is the SMILES notation for 2-ethyl-10-propyl-12-thia-15-azabicyclo[9.4.0]pentadec-1(11)-ene?
The canonical SMILES for 2-ethyl-10-propyl-12-thia-15-azabicyclo[9.4.0]pentadec-1(11)-ene is CCCC1CCCCCCCC(CC)C2=C1SCCN2.
What is the InChIKey of 2-ethyl-10-propyl-12-thia-15-azabicyclo[9.4.0]pentadec-1(11)-ene?
The InChIKey is JGCZMGQKYGTJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NS/c1-3-10-16-12-9-7-5-6-8-11-15(4-2)17-18(16)20-14-13-19-17/h15-16,19H,3-14H2,1-2H3.
What are the key properties of 2-ethyl-10-propyl-12-thia-15-azabicyclo[9.4.0]pentadec-1(11)-ene?
2-ethyl-10-propyl-12-thia-15-azabicyclo[9.4.0]pentadec-1(11)-ene has a molecular weight of 295.54 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-10-propyl-12-thia-15-azabicyclo[9.4.0]pentadec-1(11)-ene is sourced from PubChem (CID 143716445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).