N-(3,3-difluoropropyl)-4,6-dimethyl-1,3-thiazinan-2-imine

C9H16F2N2S — CID 137216588

IUPACN-(3,3-difluoropropyl)-4,6-dimethyl-1,3-thiazinan-2-imine
SMILESCC1CC(C)S/C(=N\CCC(F)F)N1
InChIInChI=1S/C9H16F2N2S/c1-6-5-7(2)14-9(13-6)12-4-3-8(10)11/h6-8H,3-5H2,1-2H3,(H,12,13)
InChIKeyJDDWKGUDLGBRBO-UHFFFAOYSA-N
MW222.30 g/mol
LogP2.50
Rot. Bonds3

About N-(3,3-difluoropropyl)-4,6-dimethyl-1,3-thiazinan-2-imine

N-(3,3-difluoropropyl)-4,6-dimethyl-1,3-thiazinan-2-imine (PubChem CID 137216588) has the molecular formula C9H16F2N2S and a molecular weight of 222.30 g/mol. Its IUPAC name is N-(3,3-difluoropropyl)-4,6-dimethyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-(3,3-difluoropropyl)-4,6-dimethyl-1,3-thiazinan-2-imine
PubChem CID137216588
Molecular FormulaC9H16F2N2S
Molecular Weight222.30 g/mol
Exact Mass222.10
IUPAC NameN-(3,3-difluoropropyl)-4,6-dimethyl-1,3-thiazinan-2-imine
SMILESCC1CC(C)S/C(=N\CCC(F)F)N1
InChIInChI=1S/C9H16F2N2S/c1-6-5-7(2)14-9(13-6)12-4-3-8(10)11/h6-8H,3-5H2,1-2H3,(H,12,13)
InChIKeyJDDWKGUDLGBRBO-UHFFFAOYSA-N
XLogP2.50
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,6-dimethyl-N-(7-methyloctyl)-1,3-thiazinan-2-imine
CID 136701837
4,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine
CID 136819431
4,6-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazinan-2-imine
CID 137011044
N-(3-methoxypropyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755273
N-[2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-ethylpropan-1-amine
CID 136666999
4,6-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazinan-2-imine
CID 136981204
4,6-dimethyl-N-(6-methylsulfanylhexyl)-1,3-thiazinan-2-imine
CID 136723694
N-(cyclobutylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755277
N-(cyclohexylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755282
4,6-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-thiazinan-2-imine
CID 136755260
N-(2-ethyl-2-methylsulfanylbutyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136762649
N-cyclopropyl-3-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]propanamide
CID 136981461

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoropropyl)-4,6-dimethyl-1,3-thiazinan-2-imine?
The IUPAC name of N-(3,3-difluoropropyl)-4,6-dimethyl-1,3-thiazinan-2-imine (CID 137216588) is N-(3,3-difluoropropyl)-4,6-dimethyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-(3,3-difluoropropyl)-4,6-dimethyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-(3,3-difluoropropyl)-4,6-dimethyl-1,3-thiazinan-2-imine is CC1CC(C)S/C(=N\CCC(F)F)N1.
What is the InChIKey of N-(3,3-difluoropropyl)-4,6-dimethyl-1,3-thiazinan-2-imine?
The InChIKey is JDDWKGUDLGBRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2S/c1-6-5-7(2)14-9(13-6)12-4-3-8(10)11/h6-8H,3-5H2,1-2H3,(H,12,13).
What are the key properties of N-(3,3-difluoropropyl)-4,6-dimethyl-1,3-thiazinan-2-imine?
N-(3,3-difluoropropyl)-4,6-dimethyl-1,3-thiazinan-2-imine has a molecular weight of 222.30 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoropropyl)-4,6-dimethyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 137216588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).