3,3,3-trifluoro-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine

C10H10F3N5S — CID 43753027

IUPAC3,3,3-trifluoro-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
SMILESNCC(Sc1nnnn1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H10F3N5S/c11-10(12,13)8(6-14)19-9-15-16-17-18(9)7-4-2-1-3-5-7/h1-5,8H,6,14H2
InChIKeyVENATVNFJMCKJA-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.64
Rot. Bonds4

About 3,3,3-trifluoro-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine

3,3,3-trifluoro-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine (PubChem CID 43753027) has the molecular formula C10H10F3N5S and a molecular weight of 289.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
PubChem CID43753027
Molecular FormulaC10H10F3N5S
Molecular Weight289.29 g/mol
Exact Mass289.06
IUPAC Name3,3,3-trifluoro-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
SMILESNCC(Sc1nnnn1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H10F3N5S/c11-10(12,13)8(6-14)19-9-15-16-17-18(9)7-4-2-1-3-5-7/h1-5,8H,6,14H2
InChIKeyVENATVNFJMCKJA-UHFFFAOYSA-N
XLogP1.64
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,4,4-trifluoro-3-(1-phenyltetrazol-5-yl)sulfanylbutan-1-amine
CID 43753427
4-amino-2-(1-phenyltetrazol-5-yl)sulfanylbutanoic acid
CID 64695475
S-(1-phenyltetrazol-5-yl)thiohydroxylamine
CID 170760951
3-amino-4,4-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpentan-1-ol
CID 114370230
ethyl 2-fluoro-2-(1-phenyltetrazol-5-yl)sulfanylacetate
CID 79357235
2-amino-2-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpentanamide
CID 64711465
2,2-difluoro-2-(1-phenyltetrazol-5-yl)sulfanylacetic acid
CID 81218371
2-ethoxy-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
CID 63071022
3,3-dimethyl-1-(1-phenyltetrazol-5-yl)sulfanylbutan-2-amine
CID 64648593
4-(1-phenyltetrazol-5-yl)sulfanylbut-2-en-1-amine
CID 77110853
(2R)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetic acid
CID 40555263
[3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-yl]methanamine
CID 62685186

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine (CID 43753027) is 3,3,3-trifluoro-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine is NCC(Sc1nnnn1-c1ccccc1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine?
The InChIKey is VENATVNFJMCKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5S/c11-10(12,13)8(6-14)19-9-15-16-17-18(9)7-4-2-1-3-5-7/h1-5,8H,6,14H2.
What are the key properties of 3,3,3-trifluoro-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine?
3,3,3-trifluoro-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine has a molecular weight of 289.29 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine is sourced from PubChem (CID 43753027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).