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

C18H27FN2O2S2 — CID 91814267

IUPAC1-(2-fluorophenyl)-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1F)NCC1CCN(C2CCSCC2)CC1
InChIInChI=1S/C18H27FN2O2S2/c19-18-4-2-1-3-16(18)14-25(22,23)20-13-15-5-9-21(10-6-15)17-7-11-24-12-8-17/h1-4,15,17,20H,5-14H2
InChIKeyQPUXHFIGTFPWTC-UHFFFAOYSA-N
MW386.56 g/mol
LogP2.85
Rot. Bonds6

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

1-(2-fluorophenyl)-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]methanesulfonamide (PubChem CID 91814267) has the molecular formula C18H27FN2O2S2 and a molecular weight of 386.56 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]methanesulfonamide
PubChem CID91814267
Molecular FormulaC18H27FN2O2S2
Molecular Weight386.56 g/mol
Exact Mass386.15
IUPAC Name1-(2-fluorophenyl)-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1F)NCC1CCN(C2CCSCC2)CC1
InChIInChI=1S/C18H27FN2O2S2/c19-18-4-2-1-3-16(18)14-25(22,23)20-13-15-5-9-21(10-6-15)17-7-11-24-12-8-17/h1-4,15,17,20H,5-14H2
InChIKeyQPUXHFIGTFPWTC-UHFFFAOYSA-N
XLogP2.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 91814268
N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 91813128
1-phenyl-N-[[(3S)-1-(thian-4-yl)piperidin-3-yl]methyl]methanesulfonamide
CID 42193248
4-fluoro-3-methyl-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]benzenesulfonamide
CID 100682994
4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]thiomorpholine
CID 171335538
2-chloro-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 91813135
2-methoxy-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121109725
1-(2-aminophenyl)-N-(thiolan-3-ylmethyl)methanesulfonamide
CID 107294786
N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide
CID 16887715
N'-phenyl-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]oxamide
CID 91814292
2-ethoxy-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 91813138
N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide
CID 121109573

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]methanesulfonamide (CID 91814267) is 1-(2-fluorophenyl)-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]methanesulfonamide is O=S(=O)(Cc1ccccc1F)NCC1CCN(C2CCSCC2)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]methanesulfonamide?
The InChIKey is QPUXHFIGTFPWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2S2/c19-18-4-2-1-3-16(18)14-25(22,23)20-13-15-5-9-21(10-6-15)17-7-11-24-12-8-17/h1-4,15,17,20H,5-14H2.
What are the key properties of 1-(2-fluorophenyl)-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]methanesulfonamide?
1-(2-fluorophenyl)-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]methanesulfonamide has a molecular weight of 386.56 g/mol, XLogP of 2.85, 6 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-(thian-4-yl)piperidin-4-yl]methyl]methanesulfonamide is sourced from PubChem (CID 91814267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).