phenyl 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate

C17H19NO4S2 — CID 8765493

IUPACphenyl 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)Oc1ccccc1
InChIInChI=1S/C17H19NO4S2/c19-16(22-14-7-3-1-4-8-14)13-15-9-10-17(23-15)24(20,21)18-11-5-2-6-12-18/h1,3-4,7-10H,2,5-6,11-13H2
InChIKeyIKCTXRIWGPSTJI-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.07
Rot. Bonds5

About phenyl 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate

phenyl 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate (PubChem CID 8765493) has the molecular formula C17H19NO4S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is phenyl 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate.

Molecular Properties

Compound Namephenyl 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate
PubChem CID8765493
Molecular FormulaC17H19NO4S2
Molecular Weight365.48 g/mol
Exact Mass365.08
IUPAC Namephenyl 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)Oc1ccccc1
InChIInChI=1S/C17H19NO4S2/c19-16(22-14-7-3-1-4-8-14)13-15-9-10-17(23-15)24(20,21)18-11-5-2-6-12-18/h1,3-4,7-10H,2,5-6,11-13H2
InChIKeyIKCTXRIWGPSTJI-UHFFFAOYSA-N
XLogP3.07
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N-(3-phenoxypropyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55431438
2-[5-(azepan-1-ylsulfonyl)thiophen-2-yl]-1-piperidin-1-ylethanone
CID 53067970
1-(4-benzylpiperazin-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 34347338
(2,6-dimethylphenyl) 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 8765732
N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17440789
N-methoxy-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 47097885
2-[methyl-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]propanoic acid
CID 119208948
[2-(azepan-1-yl)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 3621047
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate
CID 23770843
N-[2-(3-methylphenoxy)ethyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 31916016
5-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]pentanoic acid
CID 119234105
N-benzyl-N-(2-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 31821793

Frequently Asked Questions

What is the IUPAC name of phenyl 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate?
The IUPAC name of phenyl 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate (CID 8765493) is phenyl 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate.
What is the SMILES notation for phenyl 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate?
The canonical SMILES for phenyl 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate is O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)Oc1ccccc1.
What is the InChIKey of phenyl 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate?
The InChIKey is IKCTXRIWGPSTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S2/c19-16(22-14-7-3-1-4-8-14)13-15-9-10-17(23-15)24(20,21)18-11-5-2-6-12-18/h1,3-4,7-10H,2,5-6,11-13H2.
What are the key properties of phenyl 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate?
phenyl 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate has a molecular weight of 365.48 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate is sourced from PubChem (CID 8765493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).