3,4,5,6,7,8,9,10-octahydro-2H-cycloocta[b][1,4]thiazine

C10H17NS — CID 12998652

IUPAC3,4,5,6,7,8,9,10-octahydro-2H-cycloocta[b][1,4]thiazine
SMILESC1CCCC2=C(CC1)NCCS2
InChIInChI=1S/C10H17NS/c1-2-4-6-10-9(5-3-1)11-7-8-12-10/h11H,1-8H2
InChIKeyXXZMGKVDWQJYCC-UHFFFAOYSA-N
MW183.32 g/mol
LogP2.89
Rot. Bonds

About 3,4,5,6,7,8,9,10-octahydro-2H-cycloocta[b][1,4]thiazine

3,4,5,6,7,8,9,10-octahydro-2H-cycloocta[b][1,4]thiazine (PubChem CID 12998652) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 3,4,5,6,7,8,9,10-octahydro-2H-cycloocta[b][1,4]thiazine.

Molecular Properties

Compound Name3,4,5,6,7,8,9,10-octahydro-2H-cycloocta[b][1,4]thiazine
PubChem CID12998652
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name3,4,5,6,7,8,9,10-octahydro-2H-cycloocta[b][1,4]thiazine
SMILESC1CCCC2=C(CC1)NCCS2
InChIInChI=1S/C10H17NS/c1-2-4-6-10-9(5-3-1)11-7-8-12-10/h11H,1-8H2
InChIKeyXXZMGKVDWQJYCC-UHFFFAOYSA-N
XLogP2.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,5,6,7,8-hexahydro-2H-1,4-benzothiazine
CID 12998651
6-ethyl-5-propyl-3,4-dihydro-2H-1,4-thiazine
CID 85653077
5-heptyl-6-hexan-3-yl-3,4-dihydro-2H-1,4-thiazine
CID 71089024
2-Methyl-10-propyl-12-thia-15-azabicyclo[9.4.0]pentadec-1(11)-ene
CID 143716433
10-Methyl-2-propyl-12-thia-15-azabicyclo[9.4.0]pentadec-1(11)-ene
CID 143716575
2-Propyl-12-thia-15-azabicyclo[9.4.0]pentadec-1(11)-ene
CID 143716576
5,9-Dipropyl-2,3,4,5,6,7,8,9-octahydrocyclohepta[b][1,4]thiazine
CID 143716587
11-Propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine
CID 143716685
11-Methyl-5-propyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]thiazine
CID 143716687
Ethane;10-methyl-12-thia-15-azabicyclo[9.4.0]pentadec-1(11)-ene
CID 143716695
2,5-Dimethyl-4-pentyl-2,3-dihydro-1,3-thiazole;ethane
CID 145443768
2,5-Dimethyl-4-pentyl-2,3-dihydro-1,3-thiazole;ethane
CID 145443921

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6,7,8,9,10-octahydro-2H-cycloocta[b][1,4]thiazine?
The IUPAC name of 3,4,5,6,7,8,9,10-octahydro-2H-cycloocta[b][1,4]thiazine (CID 12998652) is 3,4,5,6,7,8,9,10-octahydro-2H-cycloocta[b][1,4]thiazine.
What is the SMILES notation for 3,4,5,6,7,8,9,10-octahydro-2H-cycloocta[b][1,4]thiazine?
The canonical SMILES for 3,4,5,6,7,8,9,10-octahydro-2H-cycloocta[b][1,4]thiazine is C1CCCC2=C(CC1)NCCS2.
What is the InChIKey of 3,4,5,6,7,8,9,10-octahydro-2H-cycloocta[b][1,4]thiazine?
The InChIKey is XXZMGKVDWQJYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-2-4-6-10-9(5-3-1)11-7-8-12-10/h11H,1-8H2.
What are the key properties of 3,4,5,6,7,8,9,10-octahydro-2H-cycloocta[b][1,4]thiazine?
3,4,5,6,7,8,9,10-octahydro-2H-cycloocta[b][1,4]thiazine has a molecular weight of 183.32 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6,7,8,9,10-octahydro-2H-cycloocta[b][1,4]thiazine is sourced from PubChem (CID 12998652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).