N-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-yl-1,3-thiazinan-2-imine

C15H26N2S — CID 136993373

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
SMILESCC(C)C1CCS/C(=N/CC2CC3CCC2C3)N1
InChIInChI=1S/C15H26N2S/c1-10(2)14-5-6-18-15(17-14)16-9-13-8-11-3-4-12(13)7-11/h10-14H,3-9H2,1-2H3,(H,16,17)
InChIKeyPHRPOWCFEWAELD-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.53
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-yl-1,3-thiazinan-2-imine

N-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-yl-1,3-thiazinan-2-imine (PubChem CID 136993373) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-yl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
PubChem CID136993373
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
SMILESCC(C)C1CCS/C(=N/CC2CC3CCC2C3)N1
InChIInChI=1S/C15H26N2S/c1-10(2)14-5-6-18-15(17-14)16-9-13-8-11-3-4-12(13)7-11/h10-14H,3-9H2,1-2H3,(H,16,17)
InChIKeyPHRPOWCFEWAELD-UHFFFAOYSA-N
XLogP3.53
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-yl-1,3-thiazinan-2-imine with MolForge

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Related Compounds

4-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-thiazinan-2-imine
CID 136848338
N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848231
N-[(2-methylcyclohexyl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136938506
N-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848437
N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848547
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848253
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbutan-2-imine
CID 22894534
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848598
N-[(6-methyl-2-pyridinyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993359
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylbutan-2-imine;N-ethyl-3-methylbutan-2-imine
CID 161284558
2-(3-chloro-4-methylpentyl)bicyclo[2.2.1]heptane
CID 79563064
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-yl-1,3-thiazinan-2-imine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-yl-1,3-thiazinan-2-imine (CID 136993373) is N-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-yl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-yl-1,3-thiazinan-2-imine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-yl-1,3-thiazinan-2-imine is CC(C)C1CCS/C(=N/CC2CC3CCC2C3)N1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-yl-1,3-thiazinan-2-imine?
The InChIKey is PHRPOWCFEWAELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-10(2)14-5-6-18-15(17-14)16-9-13-8-11-3-4-12(13)7-11/h10-14H,3-9H2,1-2H3,(H,16,17).
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-yl-1,3-thiazinan-2-imine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-yl-1,3-thiazinan-2-imine has a molecular weight of 266.45 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-yl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136993373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).