4-(benzenesulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine

C16H19NO4S3 — CID 90589444

IUPAC4-(benzenesulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)s1
InChIInChI=1S/C16H19NO4S3/c1-13-7-8-16(22-13)24(20,21)17-11-9-15(10-12-17)23(18,19)14-5-3-2-4-6-14/h2-8,15H,9-12H2,1H3
InChIKeyRWEJUPHWAJLITK-UHFFFAOYSA-N
MW385.53 g/mol
LogP2.68
Rot. Bonds4

About 4-(benzenesulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine

4-(benzenesulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine (PubChem CID 90589444) has the molecular formula C16H19NO4S3 and a molecular weight of 385.53 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine
PubChem CID90589444
Molecular FormulaC16H19NO4S3
Molecular Weight385.53 g/mol
Exact Mass385.05
IUPAC Name4-(benzenesulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)s1
InChIInChI=1S/C16H19NO4S3/c1-13-7-8-16(22-13)24(20,21)17-11-9-15(10-12-17)23(18,19)14-5-3-2-4-6-14/h2-8,15H,9-12H2,1H3
InChIKeyRWEJUPHWAJLITK-UHFFFAOYSA-N
XLogP2.68
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-methylimidazol-2-yl)sulfonyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine
CID 86265156
2-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]acetic acid
CID 78980451
3-benzyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine
CID 110874340
4-(benzenesulfonyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine
CID 90589474
1-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 51182519
1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]ethanamine
CID 63595170
4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 71808782
1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine
CID 62067377
1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione
CID 113083144
1-(5-ethylthiophen-2-yl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589870
1-cyclopentyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 110708935
(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993403

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine?
The IUPAC name of 4-(benzenesulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine (CID 90589444) is 4-(benzenesulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine.
What is the SMILES notation for 4-(benzenesulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine?
The canonical SMILES for 4-(benzenesulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine is Cc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)s1.
What is the InChIKey of 4-(benzenesulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine?
The InChIKey is RWEJUPHWAJLITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S3/c1-13-7-8-16(22-13)24(20,21)17-11-9-15(10-12-17)23(18,19)14-5-3-2-4-6-14/h2-8,15H,9-12H2,1H3.
What are the key properties of 4-(benzenesulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine?
4-(benzenesulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine has a molecular weight of 385.53 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine is sourced from PubChem (CID 90589444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).