3-(fluoromethyl)-1-(thian-4-yl)piperidin-3-amine

C11H21FN2S — CID 115039143

IUPAC3-(fluoromethyl)-1-(thian-4-yl)piperidin-3-amine
SMILESNC1(CF)CCCN(C2CCSCC2)C1
InChIInChI=1S/C11H21FN2S/c12-8-11(13)4-1-5-14(9-11)10-2-6-15-7-3-10/h10H,1-9,13H2
InChIKeyRPRGTTIHSPPGKE-UHFFFAOYSA-N
MW232.37 g/mol
LogP1.64
Rot. Bonds2

About 3-(fluoromethyl)-1-(thian-4-yl)piperidin-3-amine

3-(fluoromethyl)-1-(thian-4-yl)piperidin-3-amine (PubChem CID 115039143) has the molecular formula C11H21FN2S and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-(fluoromethyl)-1-(thian-4-yl)piperidin-3-amine.

Molecular Properties

Compound Name3-(fluoromethyl)-1-(thian-4-yl)piperidin-3-amine
PubChem CID115039143
Molecular FormulaC11H21FN2S
Molecular Weight232.37 g/mol
Exact Mass232.14
IUPAC Name3-(fluoromethyl)-1-(thian-4-yl)piperidin-3-amine
SMILESNC1(CF)CCCN(C2CCSCC2)C1
InChIInChI=1S/C11H21FN2S/c12-8-11(13)4-1-5-14(9-11)10-2-6-15-7-3-10/h10H,1-9,13H2
InChIKeyRPRGTTIHSPPGKE-UHFFFAOYSA-N
XLogP1.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(fluoromethyl)-1-(thian-4-yl)piperidin-3-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

[4-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]thian-4-yl]methanamine
CID 54981886
[3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]thian-3-yl]methanamine
CID 62870955
[5,5-Dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thian-3-yl]methanamine
CID 79953982
[2-Methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thian-3-yl]methanamine
CID 79956887
3-[[3-(Trifluoromethyl)piperidin-1-yl]methyl]thiomorpholine
CID 82916519
[3-Fluoro-1-(thian-4-yl)piperidin-3-yl]methanamine
CID 115039144
4-(Fluoromethyl)-1-(thian-4-yl)piperidin-4-amine
CID 115039145
[4-Fluoro-1-(thian-4-yl)piperidin-4-yl]methanamine
CID 115039146
3-(Difluoromethyl)-1-(thian-4-yl)piperidin-3-amine
CID 115046720
4-(Difluoromethyl)-1-(thian-4-yl)piperidin-4-amine
CID 115046721
1-(1,1-Dioxothian-4-yl)-3-(fluoromethyl)piperidin-3-amine
CID 115049252
3-(Difluoromethyl)-1-(1,1-dioxothian-4-yl)piperidin-3-amine
CID 115051910

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1-(thian-4-yl)piperidin-3-amine?
The IUPAC name of 3-(fluoromethyl)-1-(thian-4-yl)piperidin-3-amine (CID 115039143) is 3-(fluoromethyl)-1-(thian-4-yl)piperidin-3-amine.
What is the SMILES notation for 3-(fluoromethyl)-1-(thian-4-yl)piperidin-3-amine?
The canonical SMILES for 3-(fluoromethyl)-1-(thian-4-yl)piperidin-3-amine is NC1(CF)CCCN(C2CCSCC2)C1.
What is the InChIKey of 3-(fluoromethyl)-1-(thian-4-yl)piperidin-3-amine?
The InChIKey is RPRGTTIHSPPGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2S/c12-8-11(13)4-1-5-14(9-11)10-2-6-15-7-3-10/h10H,1-9,13H2.
What are the key properties of 3-(fluoromethyl)-1-(thian-4-yl)piperidin-3-amine?
3-(fluoromethyl)-1-(thian-4-yl)piperidin-3-amine has a molecular weight of 232.37 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1-(thian-4-yl)piperidin-3-amine is sourced from PubChem (CID 115039143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).