3-[5-[(3-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]propan-1-amine

C11H14FN5S — CID 66072941

IUPAC3-[5-[(3-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]propan-1-amine
SMILESNCCCn1nnnc1CSc1cccc(F)c1
InChIInChI=1S/C11H14FN5S/c12-9-3-1-4-10(7-9)18-8-11-14-15-16-17(11)6-2-5-13/h1,3-4,7H,2,5-6,8,13H2
InChIKeyBRJIQXNWKDSKIC-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.45
Rot. Bonds6

About 3-[5-[(3-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]propan-1-amine

3-[5-[(3-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]propan-1-amine (PubChem CID 66072941) has the molecular formula C11H14FN5S and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[5-[(3-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-[(3-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]propan-1-amine
PubChem CID66072941
Molecular FormulaC11H14FN5S
Molecular Weight267.33 g/mol
Exact Mass267.10
IUPAC Name3-[5-[(3-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]propan-1-amine
SMILESNCCCn1nnnc1CSc1cccc(F)c1
InChIInChI=1S/C11H14FN5S/c12-9-3-1-4-10(7-9)18-8-11-14-15-16-17(11)6-2-5-13/h1,3-4,7H,2,5-6,8,13H2
InChIKeyBRJIQXNWKDSKIC-UHFFFAOYSA-N
XLogP1.45
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-[(3-chlorophenyl)sulfanylmethyl]tetrazol-1-yl]butan-1-amine
CID 106387282
3-[5-[(4-chlorophenyl)sulfanylmethyl]tetrazol-1-yl]propan-1-amine
CID 66144586
4-[5-[(4-chlorophenyl)sulfanylmethyl]tetrazol-1-yl]butan-1-amine
CID 106387362
4-[5-[(4-bromophenyl)sulfanylmethyl]tetrazol-1-yl]butan-1-amine
CID 106387271
3-(3-fluorophenyl)sulfanylpropan-1-amine
CID 70244905
2-[5-[(2-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine
CID 66052129
3-[(1-benzyltetrazol-5-yl)methylsulfanyl]aniline
CID 79127892
2-[5-[(2-methylphenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine
CID 66097605
1-fluoro-3-[(3-fluorophenyl)methylsulfanyl]benzene
CID 91656520
3-[5-[(3-fluorophenyl)sulfanylmethyl]-1H-1,2,4-triazol-3-yl]propan-1-amine
CID 66072327
4-[(1-propyltetrazol-5-yl)methylsulfanyl]aniline
CID 43299209
4-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 66069584

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(3-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]propan-1-amine?
The IUPAC name of 3-[5-[(3-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]propan-1-amine (CID 66072941) is 3-[5-[(3-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[5-[(3-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[5-[(3-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]propan-1-amine is NCCCn1nnnc1CSc1cccc(F)c1.
What is the InChIKey of 3-[5-[(3-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]propan-1-amine?
The InChIKey is BRJIQXNWKDSKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5S/c12-9-3-1-4-10(7-9)18-8-11-14-15-16-17(11)6-2-5-13/h1,3-4,7H,2,5-6,8,13H2.
What are the key properties of 3-[5-[(3-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]propan-1-amine?
3-[5-[(3-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]propan-1-amine has a molecular weight of 267.33 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(3-fluorophenyl)sulfanylmethyl]tetrazol-1-yl]propan-1-amine is sourced from PubChem (CID 66072941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).