(8aS)-N-octyl-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine

C15H28N2S — CID 138692868

IUPAC(8aS)-N-octyl-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine
SMILESCCCCCCCC/N=C1\SC[C@@H]2CCCCN12
InChIInChI=1S/C15H28N2S/c1-2-3-4-5-6-8-11-16-15-17-12-9-7-10-14(17)13-18-15/h14H,2-13H2,1H3/b16-15-/t14-/m0/s1
InChIKeyKEUVDDKKZZYOEU-DQHOPXMZSA-N
MW268.47 g/mol
LogP4.30
Rot. Bonds7

About (8aS)-N-octyl-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine

(8aS)-N-octyl-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine (PubChem CID 138692868) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is (8aS)-N-octyl-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine.

Molecular Properties

Compound Name(8aS)-N-octyl-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine
PubChem CID138692868
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name(8aS)-N-octyl-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine
SMILESCCCCCCCC/N=C1\SC[C@@H]2CCCCN12
InChIInChI=1S/C15H28N2S/c1-2-3-4-5-6-8-11-16-15-17-12-9-7-10-14(17)13-18-15/h14H,2-13H2,1H3/b16-15-/t14-/m0/s1
InChIKeyKEUVDDKKZZYOEU-DQHOPXMZSA-N
XLogP4.30
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (8aS)-N-octyl-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine with MolForge

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Related Compounds

N,3-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-imine
CID 140417903
N,3-di(propan-2-yl)-4,5,6,7,8,9,10,10a-octahydro-3aH-cyclonona[d][1,3]thiazol-2-imine
CID 166733007
(7aS)-N,3-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-imine
CID 166754611
N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine
CID 167242586
CID 173809942
CID 173809942
CID 173809971
CID 173809971
2-[(2R)-2-ethylpiperidin-1-yl]-5-methyl-4,5-dihydro-1,3-thiazole
CID 173894320
propan-2-yl (2R)-2-ethyl-N-methylpiperidine-1-carboximidothioate
CID 173894331
[(2R)-butan-2-yl] (2R)-2-ethyl-N-methylpiperidine-1-carboximidothioate
CID 173894336
1-[(3-ethyl-4,5,6,7,8,9,10,10a-octahydro-3aH-cyclonona[d][1,3]thiazol-2-ylidene)amino]ethanethiol
CID 173976775
CID 174045701
CID 174045701
N-ethyl-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]thiazin-1-imine;hydrobromide
CID 399323

Frequently Asked Questions

What is the IUPAC name of (8aS)-N-octyl-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine?
The IUPAC name of (8aS)-N-octyl-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine (CID 138692868) is (8aS)-N-octyl-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine.
What is the SMILES notation for (8aS)-N-octyl-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine?
The canonical SMILES for (8aS)-N-octyl-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine is CCCCCCCC/N=C1\SC[C@@H]2CCCCN12.
What is the InChIKey of (8aS)-N-octyl-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine?
The InChIKey is KEUVDDKKZZYOEU-DQHOPXMZSA-N. The full InChI is InChI=1S/C15H28N2S/c1-2-3-4-5-6-8-11-16-15-17-12-9-7-10-14(17)13-18-15/h14H,2-13H2,1H3/b16-15-/t14-/m0/s1.
What are the key properties of (8aS)-N-octyl-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine?
(8aS)-N-octyl-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine has a molecular weight of 268.47 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-N-octyl-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine is sourced from PubChem (CID 138692868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).