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

C13H18FN5S — CID 107049652

IUPACN-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCCNC(CSc1cccc(F)c1)Cc1nnn(C)n1
InChIInChI=1S/C13H18FN5S/c1-3-15-11(8-13-16-18-19(2)17-13)9-20-12-6-4-5-10(14)7-12/h4-7,11,15H,3,8-9H2,1-2H3
InChIKeyQNDVGJCNSHTMNG-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.66
Rot. Bonds7

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

N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine (PubChem CID 107049652) has the molecular formula C13H18FN5S and a molecular weight of 295.39 g/mol. Its IUPAC name is N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
PubChem CID107049652
Molecular FormulaC13H18FN5S
Molecular Weight295.39 g/mol
Exact Mass295.13
IUPAC NameN-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCCNC(CSc1cccc(F)c1)Cc1nnn(C)n1
InChIInChI=1S/C13H18FN5S/c1-3-15-11(8-13-16-18-19(2)17-13)9-20-12-6-4-5-10(14)7-12/h4-7,11,15H,3,8-9H2,1-2H3
InChIKeyQNDVGJCNSHTMNG-UHFFFAOYSA-N
XLogP1.66
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-1-(4-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049659
N-methyl-1-(3-methylphenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049673
1-(2-chlorophenyl)sulfanyl-N-ethyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049697
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
CID 66070234
N-methyl-1-(2-methyltetrazol-5-yl)-3-phenylsulfanylpropan-2-amine
CID 107049422
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(furan-3-yl)propan-2-amine
CID 83175253
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine
CID 66070640
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 66070436
1-(3-bromophenyl)-N-ethyl-3-(3-fluorophenyl)sulfanylpropan-2-amine
CID 66071258
N,4-diethyl-1-(3-fluorophenyl)sulfanylhexan-2-amine
CID 82923437
1-(3-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
CID 107049649
N-[1-(3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107048347

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
The IUPAC name of N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine (CID 107049652) is N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine is CCNC(CSc1cccc(F)c1)Cc1nnn(C)n1.
What is the InChIKey of N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
The InChIKey is QNDVGJCNSHTMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN5S/c1-3-15-11(8-13-16-18-19(2)17-13)9-20-12-6-4-5-10(14)7-12/h4-7,11,15H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine has a molecular weight of 295.39 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine is sourced from PubChem (CID 107049652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).