[3-fluoro-1-(thian-4-yl)piperidin-3-yl]methanamine

C11H21FN2S — CID 115039144

IUPAC[3-fluoro-1-(thian-4-yl)piperidin-3-yl]methanamine
SMILESNCC1(F)CCCN(C2CCSCC2)C1
InChIInChI=1S/C11H21FN2S/c12-11(8-13)4-1-5-14(9-11)10-2-6-15-7-3-10/h10H,1-9,13H2
InChIKeyAULVIFPIDXCUMI-UHFFFAOYSA-N
MW232.37 g/mol
LogP1.64
Rot. Bonds2

About [3-fluoro-1-(thian-4-yl)piperidin-3-yl]methanamine

[3-fluoro-1-(thian-4-yl)piperidin-3-yl]methanamine (PubChem CID 115039144) has the molecular formula C11H21FN2S and a molecular weight of 232.37 g/mol. Its IUPAC name is [3-fluoro-1-(thian-4-yl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-fluoro-1-(thian-4-yl)piperidin-3-yl]methanamine
PubChem CID115039144
Molecular FormulaC11H21FN2S
Molecular Weight232.37 g/mol
Exact Mass232.14
IUPAC Name[3-fluoro-1-(thian-4-yl)piperidin-3-yl]methanamine
SMILESNCC1(F)CCCN(C2CCSCC2)C1
InChIInChI=1S/C11H21FN2S/c12-11(8-13)4-1-5-14(9-11)10-2-6-15-7-3-10/h10H,1-9,13H2
InChIKeyAULVIFPIDXCUMI-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

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Related Compounds

1-(tetrahydro-2H-thiopyran-4-yl)piperidin-4-amine
CID 45791253
[3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]thian-3-yl]methanamine
CID 62870955
3-[2-[3-(Trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine
CID 66420755
3-[2-[4-(Trifluoromethyl)piperidin-1-yl]ethyl]thiomorpholine
CID 66420756
N-(thian-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 80599968
N-[(3-fluoropiperidin-3-yl)methyl]thiolan-3-amine
CID 105473224
3-(Fluoromethyl)-1-(thian-4-yl)piperidin-3-amine
CID 115039143
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-fluoropiperidin-3-yl]methanamine
CID 115049253

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-1-(thian-4-yl)piperidin-3-yl]methanamine?
The IUPAC name of [3-fluoro-1-(thian-4-yl)piperidin-3-yl]methanamine (CID 115039144) is [3-fluoro-1-(thian-4-yl)piperidin-3-yl]methanamine.
What is the SMILES notation for [3-fluoro-1-(thian-4-yl)piperidin-3-yl]methanamine?
The canonical SMILES for [3-fluoro-1-(thian-4-yl)piperidin-3-yl]methanamine is NCC1(F)CCCN(C2CCSCC2)C1.
What is the InChIKey of [3-fluoro-1-(thian-4-yl)piperidin-3-yl]methanamine?
The InChIKey is AULVIFPIDXCUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2S/c12-11(8-13)4-1-5-14(9-11)10-2-6-15-7-3-10/h10H,1-9,13H2.
What are the key properties of [3-fluoro-1-(thian-4-yl)piperidin-3-yl]methanamine?
[3-fluoro-1-(thian-4-yl)piperidin-3-yl]methanamine 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-fluoro-1-(thian-4-yl)piperidin-3-yl]methanamine is sourced from PubChem (CID 115039144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).