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

C17H31NS — CID 143716495

IUPAC5,11-dipropyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine
SMILESCCCC1CCCCCC(CCC)C2=C1NCCS2
InChIInChI=1S/C17H31NS/c1-3-8-14-10-6-5-7-11-15(9-4-2)17-16(14)18-12-13-19-17/h14-15,18H,3-13H2,1-2H3
InChIKeyAVBGVSCZXRNBJW-UHFFFAOYSA-N
MW281.51 g/mol
LogP5.33
Rot. Bonds4

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

5,11-dipropyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine (PubChem CID 143716495) has the molecular formula C17H31NS and a molecular weight of 281.51 g/mol. Its IUPAC name is 5,11-dipropyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine.

Molecular Properties

Compound Name5,11-dipropyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine
PubChem CID143716495
Molecular FormulaC17H31NS
Molecular Weight281.51 g/mol
Exact Mass281.22
IUPAC Name5,11-dipropyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine
SMILESCCCC1CCCCCC(CCC)C2=C1NCCS2
InChIInChI=1S/C17H31NS/c1-3-8-14-10-6-5-7-11-15(9-4-2)17-16(14)18-12-13-19-17/h14-15,18H,3-13H2,1-2H3
InChIKeyAVBGVSCZXRNBJW-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.51
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
2-Ethyl-10-propyl-12-thia-15-azabicyclo[9.4.0]pentadec-1(11)-ene
CID 143716445
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 5,11-dipropyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine?
The IUPAC name of 5,11-dipropyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine (CID 143716495) is 5,11-dipropyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine.
What is the SMILES notation for 5,11-dipropyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine?
The canonical SMILES for 5,11-dipropyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine is CCCC1CCCCCC(CCC)C2=C1NCCS2.
What is the InChIKey of 5,11-dipropyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine?
The InChIKey is AVBGVSCZXRNBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NS/c1-3-8-14-10-6-5-7-11-15(9-4-2)17-16(14)18-12-13-19-17/h14-15,18H,3-13H2,1-2H3.
What are the key properties of 5,11-dipropyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine?
5,11-dipropyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine has a molecular weight of 281.51 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dipropyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine is sourced from PubChem (CID 143716495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).