1-(2-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine

C11H14FN5S — CID 107049641

IUPAC1-(2-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCn1nnc(CC(N)CSc2ccccc2F)n1
InChIInChI=1S/C11H14FN5S/c1-17-15-11(14-16-17)6-8(13)7-18-10-5-3-2-4-9(10)12/h2-5,8H,6-7,13H2,1H3
InChIKeyJGJALHYEWDJHPI-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.01
Rot. Bonds5

About 1-(2-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine

1-(2-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine (PubChem CID 107049641) has the molecular formula C11H14FN5S and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
PubChem CID107049641
Molecular FormulaC11H14FN5S
Molecular Weight267.33 g/mol
Exact Mass267.10
IUPAC Name1-(2-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCn1nnc(CC(N)CSc2ccccc2F)n1
InChIInChI=1S/C11H14FN5S/c1-17-15-11(14-16-17)6-8(13)7-18-10-5-3-2-4-9(10)12/h2-5,8H,6-7,13H2,1H3
InChIKeyJGJALHYEWDJHPI-UHFFFAOYSA-N
XLogP1.01
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049663
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2-fluorophenyl)sulfanylpropan-2-amine
CID 66051535
1-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107047726
1-(2-fluorophenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine
CID 66051531
2-(2-methyltetrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethanamine
CID 107048810
1-(4-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048349
1-(2-methyltetrazol-5-yl)-3-phenylpentan-2-amine
CID 107064725
1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine
CID 114348029
N-ethyl-1-(2-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049108
1-(2-chlorophenyl)sulfanyl-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049697
1-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)propan-2-amine
CID 83175961
1-(2-fluorophenyl)sulfanylhept-5-yn-2-amine
CID 104806211

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine (CID 107049641) is 1-(2-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine is Cn1nnc(CC(N)CSc2ccccc2F)n1.
What is the InChIKey of 1-(2-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
The InChIKey is JGJALHYEWDJHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5S/c1-17-15-11(14-16-17)6-8(13)7-18-10-5-3-2-4-9(10)12/h2-5,8H,6-7,13H2,1H3.
What are the key properties of 1-(2-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
1-(2-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine has a molecular weight of 267.33 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine is sourced from PubChem (CID 107049641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).