8a-(2-fluorophenyl)-4,4a,5,6,7,8-hexahydro-3,1-benzothiazin-2-amine

C14H17FN2S — CID 67478082

IUPAC8a-(2-fluorophenyl)-4,4a,5,6,7,8-hexahydro-3,1-benzothiazin-2-amine
SMILESNC1=NC2(c3ccccc3F)CCCCC2CS1
InChIInChI=1S/C14H17FN2S/c15-12-7-2-1-6-11(12)14-8-4-3-5-10(14)9-18-13(16)17-14/h1-2,6-7,10H,3-5,8-9H2,(H2,16,17)
InChIKeySYEVZMZBPICUPI-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.27
Rot. Bonds1

About 8a-(2-fluorophenyl)-4,4a,5,6,7,8-hexahydro-3,1-benzothiazin-2-amine

8a-(2-fluorophenyl)-4,4a,5,6,7,8-hexahydro-3,1-benzothiazin-2-amine (PubChem CID 67478082) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is 8a-(2-fluorophenyl)-4,4a,5,6,7,8-hexahydro-3,1-benzothiazin-2-amine.

Molecular Properties

Compound Name8a-(2-fluorophenyl)-4,4a,5,6,7,8-hexahydro-3,1-benzothiazin-2-amine
PubChem CID67478082
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC Name8a-(2-fluorophenyl)-4,4a,5,6,7,8-hexahydro-3,1-benzothiazin-2-amine
SMILESNC1=NC2(c3ccccc3F)CCCCC2CS1
InChIInChI=1S/C14H17FN2S/c15-12-7-2-1-6-11(12)14-8-4-3-5-10(14)9-18-13(16)17-14/h1-2,6-7,10H,3-5,8-9H2,(H2,16,17)
InChIKeySYEVZMZBPICUPI-UHFFFAOYSA-N
XLogP3.27
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8a-(2-fluorophenyl)-4,4a,5,6,7,8-hexahydro-3,1-benzothiazin-2-amine with MolForge

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Related Compounds

(4s)-4-(2,4-Difluorophenyl)-4-Methyl-5,6-Dihydro-4h-1,3-Thiazin-2-Amine
CID 90657111
(4S)-4-methyl-4-phenyl-5,6-dihydro-1,3-thiazin-2-amine
CID 59374749
4-(4-Fluorophenyl)-6-phenyl-4 h-1,3-thiazin-2-amine
CID 11185215
(5R)-5-(2-fluorophenyl)-5-methyl-2,9-dithia-4-azaspiro[5.5]undec-3-en-3-amine
CID 146168531
4-(4-fluorophenyl)-4-methyl-6,7-dihydro-5H-1,3-thiazepin-2-amine
CID 57627157
4-Methyl-4-[4-(trifluoromethyl)phenyl]-5,6-dihydro-1,3-thiazin-2-amine
CID 57627320
4-(4-Fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 57627983
(4aR,8aS)-8a-(2,3-difluorophenyl)-4,4a,5,6,7,8-hexahydro-3,1-benzothiazin-2-amine
CID 57827326
(4aR,9aS)-9a-(2-fluorophenyl)-4a,5,6,7,8,9-hexahydro-4H-cyclohepta[d][1,3]thiazin-2-amine
CID 57827348
(+/-)-(4aR*,7aS*)-7a-(2-fluorophenyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamine
CID 57827584
(+/-)-(4aR*,8aS*)-8a-(2,4-Difluoro-phenyl)-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]thiazin-2-ylamine
CID 57827646
(4aR)-8a-(2-fluorophenyl)-4,4a,5,6,7,8-hexahydro-3,1-benzothiazin-2-amine
CID 57827719

Frequently Asked Questions

What is the IUPAC name of 8a-(2-fluorophenyl)-4,4a,5,6,7,8-hexahydro-3,1-benzothiazin-2-amine?
The IUPAC name of 8a-(2-fluorophenyl)-4,4a,5,6,7,8-hexahydro-3,1-benzothiazin-2-amine (CID 67478082) is 8a-(2-fluorophenyl)-4,4a,5,6,7,8-hexahydro-3,1-benzothiazin-2-amine.
What is the SMILES notation for 8a-(2-fluorophenyl)-4,4a,5,6,7,8-hexahydro-3,1-benzothiazin-2-amine?
The canonical SMILES for 8a-(2-fluorophenyl)-4,4a,5,6,7,8-hexahydro-3,1-benzothiazin-2-amine is NC1=NC2(c3ccccc3F)CCCCC2CS1.
What is the InChIKey of 8a-(2-fluorophenyl)-4,4a,5,6,7,8-hexahydro-3,1-benzothiazin-2-amine?
The InChIKey is SYEVZMZBPICUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c15-12-7-2-1-6-11(12)14-8-4-3-5-10(14)9-18-13(16)17-14/h1-2,6-7,10H,3-5,8-9H2,(H2,16,17).
What are the key properties of 8a-(2-fluorophenyl)-4,4a,5,6,7,8-hexahydro-3,1-benzothiazin-2-amine?
8a-(2-fluorophenyl)-4,4a,5,6,7,8-hexahydro-3,1-benzothiazin-2-amine has a molecular weight of 264.37 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-(2-fluorophenyl)-4,4a,5,6,7,8-hexahydro-3,1-benzothiazin-2-amine is sourced from PubChem (CID 67478082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).