4-[2-(3-fluorophenyl)sulfinylpropan-2-yl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide

C18H22FN3O2S2 — CID 145127499

IUPAC4-[2-(3-fluorophenyl)sulfinylpropan-2-yl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide
SMILESCC(C)(C1CCN(C(=O)Nc2ccns2)CC1)S(=O)c1cccc(F)c1
InChIInChI=1S/C18H22FN3O2S2/c1-18(2,26(24)15-5-3-4-14(19)12-15)13-7-10-22(11-8-13)17(23)21-16-6-9-20-25-16/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,21,23)
InChIKeySAGJSYAJCHJGAN-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.11
Rot. Bonds4

About 4-[2-(3-fluorophenyl)sulfinylpropan-2-yl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide

4-[2-(3-fluorophenyl)sulfinylpropan-2-yl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide (PubChem CID 145127499) has the molecular formula C18H22FN3O2S2 and a molecular weight of 395.53 g/mol. Its IUPAC name is 4-[2-(3-fluorophenyl)sulfinylpropan-2-yl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(3-fluorophenyl)sulfinylpropan-2-yl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide
PubChem CID145127499
Molecular FormulaC18H22FN3O2S2
Molecular Weight395.53 g/mol
Exact Mass395.11
IUPAC Name4-[2-(3-fluorophenyl)sulfinylpropan-2-yl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide
SMILESCC(C)(C1CCN(C(=O)Nc2ccns2)CC1)S(=O)c1cccc(F)c1
InChIInChI=1S/C18H22FN3O2S2/c1-18(2,26(24)15-5-3-4-14(19)12-15)13-7-10-22(11-8-13)17(23)21-16-6-9-20-25-16/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,21,23)
InChIKeySAGJSYAJCHJGAN-UHFFFAOYSA-N
XLogP4.11
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfinylethyl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide
CID 145127553
4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(5-fluoro-3-pyridinyl)piperidine-1-carboxamide
CID 122430795
4-[(1S)-1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 93221460
4-[difluoro-(3-fluorophenyl)sulfonylmethyl]-N-[2-(1-hydroxyethyl)-4-pyridinyl]piperidine-1-carboxamide
CID 139451750
4-[(1R)-2-(4-acetylpiperazin-1-yl)-1-cyclopentyl-2-oxoethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 93221443
4-[1-fluoro-1-(3-fluorophenyl)sulfonylethyl]-N-(3-methyl-1,2-oxazol-4-yl)piperidine-1-carboxamide
CID 122430326
(3S)-N-(3-fluorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646365
1-N-(3-fluorophenyl)piperidine-1,4-dicarboxamide
CID 108893994
4-[1-fluoro-1-[4-(trifluoromethyl)phenyl]sulfinylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 145127367
4-[(1R)-1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 93221394
N-(6-cyano-3-pyridinyl)-4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfonylethyl]piperidine-1-carboxamide
CID 122430747
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenyl)sulfinylpropan-2-yl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[2-(3-fluorophenyl)sulfinylpropan-2-yl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide (CID 145127499) is 4-[2-(3-fluorophenyl)sulfinylpropan-2-yl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(3-fluorophenyl)sulfinylpropan-2-yl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[2-(3-fluorophenyl)sulfinylpropan-2-yl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide is CC(C)(C1CCN(C(=O)Nc2ccns2)CC1)S(=O)c1cccc(F)c1.
What is the InChIKey of 4-[2-(3-fluorophenyl)sulfinylpropan-2-yl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is SAGJSYAJCHJGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2S2/c1-18(2,26(24)15-5-3-4-14(19)12-15)13-7-10-22(11-8-13)17(23)21-16-6-9-20-25-16/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,21,23).
What are the key properties of 4-[2-(3-fluorophenyl)sulfinylpropan-2-yl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide?
4-[2-(3-fluorophenyl)sulfinylpropan-2-yl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenyl)sulfinylpropan-2-yl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 145127499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).