N,3-dimethyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]thiazol-2-imine

C10H18N2S — CID 147739956

IUPACN,3-dimethyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]thiazol-2-imine
SMILESC/N=C1\SC2CCCCCC2N1C
InChIInChI=1S/C10H18N2S/c1-11-10-12(2)8-6-4-3-5-7-9(8)13-10/h8-9H,3-7H2,1-2H3/b11-10-
InChIKeyMDCJXSDALYOSTQ-KHPPLWFESA-N
MW198.33 g/mol
LogP2.35
Rot. Bonds

About N,3-dimethyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]thiazol-2-imine

N,3-dimethyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]thiazol-2-imine (PubChem CID 147739956) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is N,3-dimethyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]thiazol-2-imine.

Molecular Properties

Compound NameN,3-dimethyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]thiazol-2-imine
PubChem CID147739956
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC NameN,3-dimethyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]thiazol-2-imine
SMILESC/N=C1\SC2CCCCCC2N1C
InChIInChI=1S/C10H18N2S/c1-11-10-12(2)8-6-4-3-5-7-9(8)13-10/h8-9H,3-7H2,1-2H3/b11-10-
InChIKeyMDCJXSDALYOSTQ-KHPPLWFESA-N
XLogP2.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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Related Compounds

(9aR)-N,1-dimethyl-5,6,7,8,9,9a-hexahydro-1H-[1,3]thiazolo[3,4-a]azepin-3-imine
CID 141836939
CID 149337561
CID 149337561
N,3,7-trimethyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]thiazol-2-imine
CID 155448831
N,3-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine
CID 155448857
(9aS)-N,3-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine
CID 167109729
CID 173890807
CID 173890807
CID 173968730
CID 173968730
CID 174023907
CID 174023907
CID 174045172
CID 174045172

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]thiazol-2-imine?
The IUPAC name of N,3-dimethyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]thiazol-2-imine (CID 147739956) is N,3-dimethyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]thiazol-2-imine.
What is the SMILES notation for N,3-dimethyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]thiazol-2-imine?
The canonical SMILES for N,3-dimethyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]thiazol-2-imine is C/N=C1\SC2CCCCCC2N1C.
What is the InChIKey of N,3-dimethyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]thiazol-2-imine?
The InChIKey is MDCJXSDALYOSTQ-KHPPLWFESA-N. The full InChI is InChI=1S/C10H18N2S/c1-11-10-12(2)8-6-4-3-5-7-9(8)13-10/h8-9H,3-7H2,1-2H3/b11-10-.
What are the key properties of N,3-dimethyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]thiazol-2-imine?
N,3-dimethyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]thiazol-2-imine has a molecular weight of 198.33 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]thiazol-2-imine is sourced from PubChem (CID 147739956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).