N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]quinoline-8-sulfonamide

C20H23N3O4S3 — CID 121084164

IUPACN-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]quinoline-8-sulfonamide
SMILESO=S(=O)(NCCC1CCCCN1S(=O)(=O)c1cccs1)c1cccc2cccnc12
InChIInChI=1S/C20H23N3O4S3/c24-29(25,18-9-3-6-16-7-4-12-21-20(16)18)22-13-11-17-8-1-2-14-23(17)30(26,27)19-10-5-15-28-19/h3-7,9-10,12,15,17,22H,1-2,8,11,13-14H2
InChIKeyCPZNUFZXIIABEL-UHFFFAOYSA-N
MW465.62 g/mol
LogP3.21
Rot. Bonds7

About N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]quinoline-8-sulfonamide

N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]quinoline-8-sulfonamide (PubChem CID 121084164) has the molecular formula C20H23N3O4S3 and a molecular weight of 465.62 g/mol. Its IUPAC name is N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]quinoline-8-sulfonamide
PubChem CID121084164
Molecular FormulaC20H23N3O4S3
Molecular Weight465.62 g/mol
Exact Mass465.09
IUPAC NameN-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]quinoline-8-sulfonamide
SMILESO=S(=O)(NCCC1CCCCN1S(=O)(=O)c1cccs1)c1cccc2cccnc12
InChIInChI=1S/C20H23N3O4S3/c24-29(25,18-9-3-6-16-7-4-12-21-20(16)18)22-13-11-17-8-1-2-14-23(17)30(26,27)19-10-5-15-28-19/h3-7,9-10,12,15,17,22H,1-2,8,11,13-14H2
InChIKeyCPZNUFZXIIABEL-UHFFFAOYSA-N
XLogP3.21
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]cyclopropanesulfonamide
CID 121084159
N'-(pyridin-4-ylmethyl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide
CID 18574464
N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-8-sulfonamide
CID 5053869
(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanol
CID 61408705
2-(2-chloropropyl)-1-thiophen-2-ylsulfonylazepane
CID 112748624
N-cyclohexyl-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
CID 26562522
N-butylquinoline-8-sulfonamide
CID 2068304
3-methoxy-1-methyl-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]pyrazole-4-carboxamide
CID 51894947
N'-[2-(4-fluorophenyl)ethyl]-N-[2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195687
N'-[(4-chlorophenyl)methyl]-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195608
N'-(3,5-dimethylphenyl)-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195670
N'-(2-chlorophenyl)-N-[2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195896

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]quinoline-8-sulfonamide?
The IUPAC name of N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]quinoline-8-sulfonamide (CID 121084164) is N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]quinoline-8-sulfonamide is O=S(=O)(NCCC1CCCCN1S(=O)(=O)c1cccs1)c1cccc2cccnc12.
What is the InChIKey of N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]quinoline-8-sulfonamide?
The InChIKey is CPZNUFZXIIABEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S3/c24-29(25,18-9-3-6-16-7-4-12-21-20(16)18)22-13-11-17-8-1-2-14-23(17)30(26,27)19-10-5-15-28-19/h3-7,9-10,12,15,17,22H,1-2,8,11,13-14H2.
What are the key properties of N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]quinoline-8-sulfonamide?
N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]quinoline-8-sulfonamide has a molecular weight of 465.62 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]quinoline-8-sulfonamide is sourced from PubChem (CID 121084164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).