N-[1-(trifluoromethyl)cyclopropyl]-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine

C11H15F3N2S — CID 114179110

IUPACN-[1-(trifluoromethyl)cyclopropyl]-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
SMILESFC(F)(F)C1(NC2=NC3CCCC3CS2)CC1
InChIInChI=1S/C11H15F3N2S/c12-11(13,14)10(4-5-10)16-9-15-8-3-1-2-7(8)6-17-9/h7-8H,1-6H2,(H,15,16)
InChIKeyVKNDXYCEUCSIKP-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.94
Rot. Bonds1

About N-[1-(trifluoromethyl)cyclopropyl]-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine

N-[1-(trifluoromethyl)cyclopropyl]-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine (PubChem CID 114179110) has the molecular formula C11H15F3N2S and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[1-(trifluoromethyl)cyclopropyl]-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine.

Molecular Properties

Compound NameN-[1-(trifluoromethyl)cyclopropyl]-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
PubChem CID114179110
Molecular FormulaC11H15F3N2S
Molecular Weight264.32 g/mol
Exact Mass264.09
IUPAC NameN-[1-(trifluoromethyl)cyclopropyl]-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
SMILESFC(F)(F)C1(NC2=NC3CCCC3CS2)CC1
InChIInChI=1S/C11H15F3N2S/c12-11(13,14)10(4-5-10)16-9-15-8-3-1-2-7(8)6-17-9/h7-8H,1-6H2,(H,15,16)
InChIKeyVKNDXYCEUCSIKP-UHFFFAOYSA-N
XLogP2.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine (CID 114179110) is N-[1-(trifluoromethyl)cyclopropyl]-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine.
What is the SMILES notation for N-[1-(trifluoromethyl)cyclopropyl]-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The canonical SMILES for N-[1-(trifluoromethyl)cyclopropyl]-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine is FC(F)(F)C1(NC2=NC3CCCC3CS2)CC1.
What is the InChIKey of N-[1-(trifluoromethyl)cyclopropyl]-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The InChIKey is VKNDXYCEUCSIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2S/c12-11(13,14)10(4-5-10)16-9-15-8-3-1-2-7(8)6-17-9/h7-8H,1-6H2,(H,15,16).
What are the key properties of N-[1-(trifluoromethyl)cyclopropyl]-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
N-[1-(trifluoromethyl)cyclopropyl]-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine has a molecular weight of 264.32 g/mol, XLogP of 2.94, 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]-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine is sourced from PubChem (CID 114179110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).