4-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxylic acid

C16H17NO4S2 — CID 2564272

IUPAC4-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H17NO4S2/c18-15(19)16(13-5-2-1-3-6-13)8-10-17(11-9-16)23(20,21)14-7-4-12-22-14/h1-7,12H,8-11H2,(H,18,19)
InChIKeyUSLPKEZSWWUSPC-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.56
Rot. Bonds4

About 4-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxylic acid

4-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxylic acid (PubChem CID 2564272) has the molecular formula C16H17NO4S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxylic acid
PubChem CID2564272
Molecular FormulaC16H17NO4S2
Molecular Weight351.45 g/mol
Exact Mass351.06
IUPAC Name4-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H17NO4S2/c18-15(19)16(13-5-2-1-3-6-13)8-10-17(11-9-16)23(20,21)14-7-4-12-22-14/h1-7,12H,8-11H2,(H,18,19)
InChIKeyUSLPKEZSWWUSPC-UHFFFAOYSA-N
XLogP2.56
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-4-pyrrolidin-1-yl-1-thiophen-2-ylsulfonylpiperidine
CID 110637952
3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxylic acid
CID 63135547
1-thiophen-2-ylsulfonylpiperidine
CID 765823
8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 67394620
methyl 4-phenyl-1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxylate
CID 55513594
4-thiophen-2-ylsulfonylthiomorpholine
CID 128941068
1-thiophen-2-ylsulfonylpiperazin-4-ium
CID 7016013
1-thiophen-2-ylsulfonylpiperazine
CID 3865892
1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-phenylpiperidine-4-carboxylic acid
CID 45472651
1-thiophen-2-ylsulfonylazetidine-3-carboxylic acid
CID 25187118
2-methyl-2-phenoxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 110346389
(2-hydroxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 38068353

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxylic acid?
The IUPAC name of 4-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxylic acid (CID 2564272) is 4-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxylic acid is O=C(O)C1(c2ccccc2)CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 4-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxylic acid?
The InChIKey is USLPKEZSWWUSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S2/c18-15(19)16(13-5-2-1-3-6-13)8-10-17(11-9-16)23(20,21)14-7-4-12-22-14/h1-7,12H,8-11H2,(H,18,19).
What are the key properties of 4-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxylic acid?
4-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxylic acid has a molecular weight of 351.45 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxylic acid is sourced from PubChem (CID 2564272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).