[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methanamine

C16H19FN2O2S2 — CID 71141679

IUPAC[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methanamine
SMILESNCC1(c2cccs2)CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H19FN2O2S2/c17-13-3-5-14(6-4-13)23(20,21)19-9-7-16(12-18,8-10-19)15-2-1-11-22-15/h1-6,11H,7-10,12,18H2
InChIKeyLRNZUSDXJIPGHS-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.57
Rot. Bonds4

About [1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methanamine

[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methanamine (PubChem CID 71141679) has the molecular formula C16H19FN2O2S2 and a molecular weight of 354.47 g/mol. Its IUPAC name is [1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methanamine
PubChem CID71141679
Molecular FormulaC16H19FN2O2S2
Molecular Weight354.47 g/mol
Exact Mass354.09
IUPAC Name[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methanamine
SMILESNCC1(c2cccs2)CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H19FN2O2S2/c17-13-3-5-14(6-4-13)23(20,21)19-9-7-16(12-18,8-10-19)15-2-1-11-22-15/h1-6,11H,7-10,12,18H2
InChIKeyLRNZUSDXJIPGHS-UHFFFAOYSA-N
XLogP2.57
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methanamine?
The IUPAC name of [1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methanamine (CID 71141679) is [1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methanamine is NCC1(c2cccs2)CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of [1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methanamine?
The InChIKey is LRNZUSDXJIPGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2S2/c17-13-3-5-14(6-4-13)23(20,21)19-9-7-16(12-18,8-10-19)15-2-1-11-22-15/h1-6,11H,7-10,12,18H2.
What are the key properties of [1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methanamine?
[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methanamine has a molecular weight of 354.47 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methanamine is sourced from PubChem (CID 71141679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).