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

C14H25NS — CID 143716685

IUPAC11-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine
SMILESCCCC1CCCCCCC2=C1SCCN2
InChIInChI=1S/C14H25NS/c1-2-7-12-8-5-3-4-6-9-13-14(12)16-11-10-15-13/h12,15H,2-11H2,1H3
InChIKeyRAFAZDQNDMTIIN-UHFFFAOYSA-N
MW239.43 g/mol
LogP4.30
Rot. Bonds2

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

11-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine (PubChem CID 143716685) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is 11-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine.

Molecular Properties

Compound Name11-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine
PubChem CID143716685
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name11-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine
SMILESCCCC1CCCCCCC2=C1SCCN2
InChIInChI=1S/C14H25NS/c1-2-7-12-8-5-3-4-6-9-13-14(12)16-11-10-15-13/h12,15H,2-11H2,1H3
InChIKeyRAFAZDQNDMTIIN-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 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

3,4,5,6,7,8,9,10-octahydro-2H-cycloocta[b][1,4]thiazine
CID 12998652
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
(2-Methyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-7-yl)methanamine
CID 129016134
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
5,11-Dipropyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine
CID 143716495

Frequently Asked Questions

What is the IUPAC name of 11-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine?
The IUPAC name of 11-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine (CID 143716685) is 11-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine.
What is the SMILES notation for 11-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine?
The canonical SMILES for 11-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine is CCCC1CCCCCCC2=C1SCCN2.
What is the InChIKey of 11-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine?
The InChIKey is RAFAZDQNDMTIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-2-7-12-8-5-3-4-6-9-13-14(12)16-11-10-15-13/h12,15H,2-11H2,1H3.
What are the key properties of 11-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine?
11-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine has a molecular weight of 239.43 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine is sourced from PubChem (CID 143716685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).