1-(2-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide

C18H23FN2O2S2 — CID 16888334

IUPAC1-(2-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1F)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C18H23FN2O2S2/c19-18-6-2-1-4-16(18)14-25(22,23)20-12-15-7-9-21(10-8-15)13-17-5-3-11-24-17/h1-6,11,15,20H,7-10,12-14H2
InChIKeyXJTVWRHUWIPINC-UHFFFAOYSA-N
MW382.53 g/mol
LogP3.22
Rot. Bonds7

About 1-(2-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide

1-(2-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide (PubChem CID 16888334) has the molecular formula C18H23FN2O2S2 and a molecular weight of 382.53 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide
PubChem CID16888334
Molecular FormulaC18H23FN2O2S2
Molecular Weight382.53 g/mol
Exact Mass382.12
IUPAC Name1-(2-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1F)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C18H23FN2O2S2/c19-18-6-2-1-4-16(18)14-25(22,23)20-12-15-7-9-21(10-8-15)13-17-5-3-11-24-17/h1-6,11,15,20H,7-10,12-14H2
InChIKeyXJTVWRHUWIPINC-UHFFFAOYSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide (CID 16888334) is 1-(2-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide is O=S(=O)(Cc1ccccc1F)NCC1CCN(Cc2cccs2)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide?
The InChIKey is XJTVWRHUWIPINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2S2/c19-18-6-2-1-4-16(18)14-25(22,23)20-12-15-7-9-21(10-8-15)13-17-5-3-11-24-17/h1-6,11,15,20H,7-10,12-14H2.
What are the key properties of 1-(2-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide?
1-(2-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide has a molecular weight of 382.53 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide is sourced from PubChem (CID 16888334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).