1-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylpiperidine

C15H17NO4S3 — CID 2820763

IUPAC1-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylpiperidine
SMILESO=S(=O)(c1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)s1
InChIInChI=1S/C15H17NO4S3/c17-22(18,13-7-3-1-4-8-13)14-9-10-15(21-14)23(19,20)16-11-5-2-6-12-16/h1,3-4,7-10H,2,5-6,11-12H2
InChIKeyHBIYPMGLUWALBK-UHFFFAOYSA-N
MW371.50 g/mol
LogP2.76
Rot. Bonds4

About 1-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylpiperidine

1-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylpiperidine (PubChem CID 2820763) has the molecular formula C15H17NO4S3 and a molecular weight of 371.50 g/mol. Its IUPAC name is 1-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylpiperidine.

Molecular Properties

Compound Name1-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylpiperidine
PubChem CID2820763
Molecular FormulaC15H17NO4S3
Molecular Weight371.50 g/mol
Exact Mass371.03
IUPAC Name1-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylpiperidine
SMILESO=S(=O)(c1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)s1
InChIInChI=1S/C15H17NO4S3/c17-22(18,13-7-3-1-4-8-13)14-9-10-15(21-14)23(19,20)16-11-5-2-6-12-16/h1,3-4,7-10H,2,5-6,11-12H2
InChIKeyHBIYPMGLUWALBK-UHFFFAOYSA-N
XLogP2.76
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylpiperidine?
The IUPAC name of 1-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylpiperidine (CID 2820763) is 1-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylpiperidine.
What is the SMILES notation for 1-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylpiperidine?
The canonical SMILES for 1-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylpiperidine is O=S(=O)(c1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)s1.
What is the InChIKey of 1-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylpiperidine?
The InChIKey is HBIYPMGLUWALBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S3/c17-22(18,13-7-3-1-4-8-13)14-9-10-15(21-14)23(19,20)16-11-5-2-6-12-16/h1,3-4,7-10H,2,5-6,11-12H2.
What are the key properties of 1-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylpiperidine?
1-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylpiperidine has a molecular weight of 371.50 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylpiperidine is sourced from PubChem (CID 2820763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).