N-[1-(trifluoromethyl)cyclopropyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine

C12H17F3N2S — CID 106363992

IUPACN-[1-(trifluoromethyl)cyclopropyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
SMILESFC(F)(F)C1(NC2=NC3CCCCC3CS2)CC1
InChIInChI=1S/C12H17F3N2S/c13-12(14,15)11(5-6-11)17-10-16-9-4-2-1-3-8(9)7-18-10/h8-9H,1-7H2,(H,16,17)
InChIKeyJYODSLJRDGWWKO-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.33
Rot. Bonds1

About N-[1-(trifluoromethyl)cyclopropyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine

N-[1-(trifluoromethyl)cyclopropyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine (PubChem CID 106363992) has the molecular formula C12H17F3N2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-[1-(trifluoromethyl)cyclopropyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine.

Molecular Properties

Compound NameN-[1-(trifluoromethyl)cyclopropyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
PubChem CID106363992
Molecular FormulaC12H17F3N2S
Molecular Weight278.34 g/mol
Exact Mass278.11
IUPAC NameN-[1-(trifluoromethyl)cyclopropyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
SMILESFC(F)(F)C1(NC2=NC3CCCCC3CS2)CC1
InChIInChI=1S/C12H17F3N2S/c13-12(14,15)11(5-6-11)17-10-16-9-4-2-1-3-8(9)7-18-10/h8-9H,1-7H2,(H,16,17)
InChIKeyJYODSLJRDGWWKO-UHFFFAOYSA-N
XLogP3.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(trifluoromethyl)cyclopropyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine with MolForge

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Related Compounds

N-[1-(trifluoromethyl)cyclopropyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 106219345
N-(4,4,4-trifluorobutan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 114179099
N-[1-(trifluoromethyl)cyclopropyl]-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 114179110
N-(2,2,2-trifluoroethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136746892
N-(3,3,3-trifluoropropyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136747122
N-(2,2-difluoroethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136747253
N-(4,4,4-trifluorobutyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136747255
N-(5,5,5-trifluoropentyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136747257
N-(2,2,3,3-tetrafluoropropyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136747488
N-[2-(trifluoromethylsulfanyl)ethyl]-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136842358
N-(4,4,4-trifluorobutan-2-yl)-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136999780
N-(1-methylcyclohexyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351650

Frequently Asked Questions

What is the IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
The IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine (CID 106363992) is N-[1-(trifluoromethyl)cyclopropyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine.
What is the SMILES notation for N-[1-(trifluoromethyl)cyclopropyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
The canonical SMILES for N-[1-(trifluoromethyl)cyclopropyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine is FC(F)(F)C1(NC2=NC3CCCCC3CS2)CC1.
What is the InChIKey of N-[1-(trifluoromethyl)cyclopropyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
The InChIKey is JYODSLJRDGWWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2S/c13-12(14,15)11(5-6-11)17-10-16-9-4-2-1-3-8(9)7-18-10/h8-9H,1-7H2,(H,16,17).
What are the key properties of N-[1-(trifluoromethyl)cyclopropyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine?
N-[1-(trifluoromethyl)cyclopropyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine has a molecular weight of 278.34 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(trifluoromethyl)cyclopropyl]-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine is sourced from PubChem (CID 106363992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).