5-ethyl-11-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine

C16H29NS — CID 143716398

IUPAC5-ethyl-11-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine
SMILESCCCC1CCCCCC(CC)C2=C1SCCN2
InChIInChI=1S/C16H29NS/c1-3-8-14-10-7-5-6-9-13(4-2)15-16(14)18-12-11-17-15/h13-14,17H,3-12H2,1-2H3
InChIKeyOHQPZOTWNTYGRM-UHFFFAOYSA-N
MW267.48 g/mol
LogP4.94
Rot. Bonds3

About 5-ethyl-11-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine

5-ethyl-11-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine (PubChem CID 143716398) has the molecular formula C16H29NS and a molecular weight of 267.48 g/mol. Its IUPAC name is 5-ethyl-11-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine.

Molecular Properties

Compound Name5-ethyl-11-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine
PubChem CID143716398
Molecular FormulaC16H29NS
Molecular Weight267.48 g/mol
Exact Mass267.20
IUPAC Name5-ethyl-11-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine
SMILESCCCC1CCCCCC(CC)C2=C1SCCN2
InChIInChI=1S/C16H29NS/c1-3-8-14-10-7-5-6-9-13(4-2)15-16(14)18-12-11-17-15/h13-14,17H,3-12H2,1-2H3
InChIKeyOHQPZOTWNTYGRM-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.48
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-ethyl-11-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine with MolForge

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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
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
2-Methyl-10-propyl-12-thia-15-azabicyclo[9.4.0]pentadec-1(11)-ene
CID 143716433
2-Ethyl-10-propyl-12-thia-15-azabicyclo[9.4.0]pentadec-1(11)-ene
CID 143716445
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
10-Methyl-2-propyl-12-thia-15-azabicyclo[9.4.0]pentadec-1(11)-ene
CID 143716575

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-11-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine?
The IUPAC name of 5-ethyl-11-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine (CID 143716398) is 5-ethyl-11-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine.
What is the SMILES notation for 5-ethyl-11-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine?
The canonical SMILES for 5-ethyl-11-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine is CCCC1CCCCCC(CC)C2=C1SCCN2.
What is the InChIKey of 5-ethyl-11-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine?
The InChIKey is OHQPZOTWNTYGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NS/c1-3-8-14-10-7-5-6-9-13(4-2)15-16(14)18-12-11-17-15/h13-14,17H,3-12H2,1-2H3.
What are the key properties of 5-ethyl-11-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine?
5-ethyl-11-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine has a molecular weight of 267.48 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-11-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine is sourced from PubChem (CID 143716398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).