N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine

C15H28N2S — CID 167242586

IUPACN,3-di(propan-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine
SMILESCC(C)/N=C1\SC2CCCCCCC2N1C(C)C
InChIInChI=1S/C15H28N2S/c1-11(2)16-15-17(12(3)4)13-9-7-5-6-8-10-14(13)18-15/h11-14H,5-10H2,1-4H3/b16-15-
InChIKeyKOZPSYNJJJXVIR-NXVVXOECSA-N
MW268.47 g/mol
LogP4.30
Rot. Bonds2

About N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine

N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine (PubChem CID 167242586) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine.

Molecular Properties

Compound NameN,3-di(propan-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine
PubChem CID167242586
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC NameN,3-di(propan-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine
SMILESCC(C)/N=C1\SC2CCCCCCC2N1C(C)C
InChIInChI=1S/C15H28N2S/c1-11(2)16-15-17(12(3)4)13-9-7-5-6-8-10-14(13)18-15/h11-14H,5-10H2,1-4H3/b16-15-
InChIKeyKOZPSYNJJJXVIR-NXVVXOECSA-N
XLogP4.30
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-Pentyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 67743177
(8aS)-N-octyl-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine
CID 138692868
3-cyclohexyl-N-propan-2-yl-1,3-thiazolidin-2-imine
CID 141114336
(9aR)-N,1-dimethyl-5,6,7,8,9,9a-hexahydro-1H-[1,3]thiazolo[3,4-a]azepin-3-imine
CID 141836939
CID 147424819
CID 147424819
N,3-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine
CID 155448857
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
10-iodo-N,3-di(propan-2-yl)-4,5,6,7,8,9,10,10a-octahydro-3aH-cyclonona[d][1,3]thiazol-2-imine
CID 166800438
(9aS)-N,3-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine
CID 167109729
8-methyl-N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine
CID 167191017
CID 173809942
CID 173809942
CID 173809971
CID 173809971

Frequently Asked Questions

What is the IUPAC name of N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine?
The IUPAC name of N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine (CID 167242586) is N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine.
What is the SMILES notation for N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine?
The canonical SMILES for N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine is CC(C)/N=C1\SC2CCCCCCC2N1C(C)C.
What is the InChIKey of N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine?
The InChIKey is KOZPSYNJJJXVIR-NXVVXOECSA-N. The full InChI is InChI=1S/C15H28N2S/c1-11(2)16-15-17(12(3)4)13-9-7-5-6-8-10-14(13)18-15/h11-14H,5-10H2,1-4H3/b16-15-.
What are the key properties of N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine?
N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine has a molecular weight of 268.47 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine is sourced from PubChem (CID 167242586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).