2-phenoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide

C16H21N3O3S2 — CID 90597556

IUPAC2-phenoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide
SMILESO=S(=O)(CCOc1ccccc1)NC1CCN(c2nccs2)CC1
InChIInChI=1S/C16H21N3O3S2/c20-24(21,13-11-22-15-4-2-1-3-5-15)18-14-6-9-19(10-7-14)16-17-8-12-23-16/h1-5,8,12,14,18H,6-7,9-11,13H2
InChIKeyKNMMEQYDBJKXOG-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.11
Rot. Bonds7

About 2-phenoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide

2-phenoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide (PubChem CID 90597556) has the molecular formula C16H21N3O3S2 and a molecular weight of 367.50 g/mol. Its IUPAC name is 2-phenoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-phenoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide
PubChem CID90597556
Molecular FormulaC16H21N3O3S2
Molecular Weight367.50 g/mol
Exact Mass367.10
IUPAC Name2-phenoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide
SMILESO=S(=O)(CCOc1ccccc1)NC1CCN(c2nccs2)CC1
InChIInChI=1S/C16H21N3O3S2/c20-24(21,13-11-22-15-4-2-1-3-5-15)18-14-6-9-19(10-7-14)16-17-8-12-23-16/h1-5,8,12,14,18H,6-7,9-11,13H2
InChIKeyKNMMEQYDBJKXOG-UHFFFAOYSA-N
XLogP2.11
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propane-1-sulfonamide
CID 90597545
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butane-1-sulfonamide
CID 90597476
2-phenyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanesulfonamide
CID 99875511
2-(4-methoxyphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide
CID 90597529
1-(4-fluorophenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]methanesulfonamide
CID 90597494
3-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597489
2-[4-(2-phenoxyethylsulfonylamino)piperidin-1-yl]acetamide
CID 122566592
4-fluoro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 71810066
4-butoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597226
3-methyl-4-propoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597538
4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597507
3,4-difluoro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597498

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide?
The IUPAC name of 2-phenoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide (CID 90597556) is 2-phenoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide.
What is the SMILES notation for 2-phenoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide?
The canonical SMILES for 2-phenoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide is O=S(=O)(CCOc1ccccc1)NC1CCN(c2nccs2)CC1.
What is the InChIKey of 2-phenoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide?
The InChIKey is KNMMEQYDBJKXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S2/c20-24(21,13-11-22-15-4-2-1-3-5-15)18-14-6-9-19(10-7-14)16-17-8-12-23-16/h1-5,8,12,14,18H,6-7,9-11,13H2.
What are the key properties of 2-phenoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide?
2-phenoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide has a molecular weight of 367.50 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 90597556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).