1-(3-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine

C15H21FN4S — CID 107049649

IUPAC1-(3-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
SMILESCCCNC(CSc1cccc(F)c1)Cc1cn(C)nn1
InChIInChI=1S/C15H21FN4S/c1-3-7-17-14(9-13-10-20(2)19-18-13)11-21-15-6-4-5-12(16)8-15/h4-6,8,10,14,17H,3,7,9,11H2,1-2H3
InChIKeyOLGHWNNRFUWQJF-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.66
Rot. Bonds8

About 1-(3-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine

1-(3-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine (PubChem CID 107049649) has the molecular formula C15H21FN4S and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
PubChem CID107049649
Molecular FormulaC15H21FN4S
Molecular Weight308.43 g/mol
Exact Mass308.15
IUPAC Name1-(3-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
SMILESCCCNC(CSc1cccc(F)c1)Cc1cn(C)nn1
InChIInChI=1S/C15H21FN4S/c1-3-7-17-14(9-13-10-20(2)19-18-13)11-21-15-6-4-5-12(16)8-15/h4-6,8,10,14,17H,3,7,9,11H2,1-2H3
InChIKeyOLGHWNNRFUWQJF-UHFFFAOYSA-N
XLogP2.66
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chlorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
CID 107049700
1-(3-fluorophenyl)sulfanyl-N-propylpentan-2-amine
CID 66071041
1-(3-fluorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 66073110
1-(3-fluorophenyl)sulfanyl-N-propyloctan-2-amine
CID 66070622
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049652
1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine
CID 66071857
1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine
CID 66071861
[1-(1-methyltriazol-4-yl)-3-phenylsulfanylpropan-2-yl]hydrazine
CID 107066129
1-(3,4-dichlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
CID 107048898
1-(3-fluorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107048702
1-cyclopentyl-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine
CID 66073314
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine
CID 66070640

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine (CID 107049649) is 1-(3-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine is CCCNC(CSc1cccc(F)c1)Cc1cn(C)nn1.
What is the InChIKey of 1-(3-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine?
The InChIKey is OLGHWNNRFUWQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4S/c1-3-7-17-14(9-13-10-20(2)19-18-13)11-21-15-6-4-5-12(16)8-15/h4-6,8,10,14,17H,3,7,9,11H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine?
1-(3-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine has a molecular weight of 308.43 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 107049649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).