N,3-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine

C11H20N2S — CID 155448857

IUPACN,3-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine
SMILESC/N=C1\SC2CCCCCCC2N1C
InChIInChI=1S/C11H20N2S/c1-12-11-13(2)9-7-5-3-4-6-8-10(9)14-11/h9-10H,3-8H2,1-2H3/b12-11-
InChIKeyDBYKUDCGHPHRSF-QXMHVHEDSA-N
MW212.36 g/mol
LogP2.74
Rot. Bonds

About N,3-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine

N,3-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine (PubChem CID 155448857) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N,3-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine.

Molecular Properties

Compound NameN,3-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine
PubChem CID155448857
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN,3-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine
SMILESC/N=C1\SC2CCCCCCC2N1C
InChIInChI=1S/C11H20N2S/c1-12-11-13(2)9-7-5-3-4-6-8-10(9)14-11/h9-10H,3-8H2,1-2H3/b12-11-
InChIKeyDBYKUDCGHPHRSF-QXMHVHEDSA-N
XLogP2.74
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,3-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine with MolForge

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Related Compounds

6-Pentyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 67743177
3-cyclohexyl-N-propan-2-yl-1,3-thiazolidin-2-imine
CID 141114336
CID 147424819
CID 147424819
N,3-dimethyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]thiazol-2-imine
CID 147739956
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
(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
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
CID 173810011
CID 173810011
CID 173968717
CID 173968717

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine?
The IUPAC name of N,3-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine (CID 155448857) is N,3-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine.
What is the SMILES notation for N,3-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine?
The canonical SMILES for N,3-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine is C/N=C1\SC2CCCCCCC2N1C.
What is the InChIKey of N,3-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine?
The InChIKey is DBYKUDCGHPHRSF-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H20N2S/c1-12-11-13(2)9-7-5-3-4-6-8-10(9)14-11/h9-10H,3-8H2,1-2H3/b12-11-.
What are the key properties of N,3-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine?
N,3-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine has a molecular weight of 212.36 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine is sourced from PubChem (CID 155448857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).