N,3-di(propan-2-yl)-4,5,6,7,8,9,10,10a-octahydro-3aH-cyclonona[d][1,3]thiazol-2-imine

C16H30N2S — CID 166733007

IUPACN,3-di(propan-2-yl)-4,5,6,7,8,9,10,10a-octahydro-3aH-cyclonona[d][1,3]thiazol-2-imine
SMILESCC(C)/N=C1\SC2CCCCCCCC2N1C(C)C
InChIInChI=1S/C16H30N2S/c1-12(2)17-16-18(13(3)4)14-10-8-6-5-7-9-11-15(14)19-16/h12-15H,5-11H2,1-4H3/b17-16-
InChIKeyCTSLROODUZDJKH-MSUUIHNZSA-N
MW282.50 g/mol
LogP4.69
Rot. Bonds2

About N,3-di(propan-2-yl)-4,5,6,7,8,9,10,10a-octahydro-3aH-cyclonona[d][1,3]thiazol-2-imine

N,3-di(propan-2-yl)-4,5,6,7,8,9,10,10a-octahydro-3aH-cyclonona[d][1,3]thiazol-2-imine (PubChem CID 166733007) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is N,3-di(propan-2-yl)-4,5,6,7,8,9,10,10a-octahydro-3aH-cyclonona[d][1,3]thiazol-2-imine.

Molecular Properties

Compound NameN,3-di(propan-2-yl)-4,5,6,7,8,9,10,10a-octahydro-3aH-cyclonona[d][1,3]thiazol-2-imine
PubChem CID166733007
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC NameN,3-di(propan-2-yl)-4,5,6,7,8,9,10,10a-octahydro-3aH-cyclonona[d][1,3]thiazol-2-imine
SMILESCC(C)/N=C1\SC2CCCCCCCC2N1C(C)C
InChIInChI=1S/C16H30N2S/c1-12(2)17-16-18(13(3)4)14-10-8-6-5-7-9-11-15(14)19-16/h12-15H,5-11H2,1-4H3/b17-16-
InChIKeyCTSLROODUZDJKH-MSUUIHNZSA-N
XLogP4.69
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,3-di(propan-2-yl)-4,5,6,7,8,9,10,10a-octahydro-3aH-cyclonona[d][1,3]thiazol-2-imine with MolForge

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Related Compounds

(8aS)-N-octyl-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine
CID 138692868
9-methyl-N,3-di(propan-2-yl)-4,5,6,7,8,9,10,10a-octahydro-3aH-cyclonona[d][1,3]thiazol-2-imine
CID 138727563
3-cyclohexyl-N-propan-2-yl-1,3-thiazolidin-2-imine
CID 141114336
N,3-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine
CID 155448857
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
N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine
CID 167242586
9-iodo-9-methyl-N,3-di(propan-2-yl)-3a,4,5,6,7,8,10,10a-octahydrocyclonona[d][1,3]thiazol-2-imine
CID 169679992
11-methyl-N,3-di(propan-2-yl)-4,5,6,7,8,9,10,11,12,12a-decahydro-3aH-cycloundeca[d][1,3]thiazol-2-imine
CID 169698041
CID 173809942
CID 173809942
CID 173809971
CID 173809971
CID 173810011
CID 173810011

Frequently Asked Questions

What is the IUPAC name of N,3-di(propan-2-yl)-4,5,6,7,8,9,10,10a-octahydro-3aH-cyclonona[d][1,3]thiazol-2-imine?
The IUPAC name of 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) is N,3-di(propan-2-yl)-4,5,6,7,8,9,10,10a-octahydro-3aH-cyclonona[d][1,3]thiazol-2-imine.
What is the SMILES notation for N,3-di(propan-2-yl)-4,5,6,7,8,9,10,10a-octahydro-3aH-cyclonona[d][1,3]thiazol-2-imine?
The canonical SMILES for N,3-di(propan-2-yl)-4,5,6,7,8,9,10,10a-octahydro-3aH-cyclonona[d][1,3]thiazol-2-imine is CC(C)/N=C1\SC2CCCCCCCC2N1C(C)C.
What is the InChIKey of N,3-di(propan-2-yl)-4,5,6,7,8,9,10,10a-octahydro-3aH-cyclonona[d][1,3]thiazol-2-imine?
The InChIKey is CTSLROODUZDJKH-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H30N2S/c1-12(2)17-16-18(13(3)4)14-10-8-6-5-7-9-11-15(14)19-16/h12-15H,5-11H2,1-4H3/b17-16-.
What are the key properties of N,3-di(propan-2-yl)-4,5,6,7,8,9,10,10a-octahydro-3aH-cyclonona[d][1,3]thiazol-2-imine?
N,3-di(propan-2-yl)-4,5,6,7,8,9,10,10a-octahydro-3aH-cyclonona[d][1,3]thiazol-2-imine has a molecular weight of 282.50 g/mol, XLogP of 4.69, 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)-4,5,6,7,8,9,10,10a-octahydro-3aH-cyclonona[d][1,3]thiazol-2-imine is sourced from PubChem (CID 166733007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).