2-ethyl-6-(2-ethylpiperidine-1-carbonyl)-1,1-dioxo-1,2-benzothiazol-3-one

C17H22N2O4S — CID 87023575

IUPAC2-ethyl-6-(2-ethylpiperidine-1-carbonyl)-1,1-dioxo-1,2-benzothiazol-3-one
SMILESCCC1CCCCN1C(=O)c1ccc2c(c1)S(=O)(=O)N(CC)C2=O
InChIInChI=1S/C17H22N2O4S/c1-3-13-7-5-6-10-18(13)16(20)12-8-9-14-15(11-12)24(22,23)19(4-2)17(14)21/h8-9,11,13H,3-7,10H2,1-2H3
InChIKeyXVQZESMTILVHQP-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.26
Rot. Bonds3

About 2-ethyl-6-(2-ethylpiperidine-1-carbonyl)-1,1-dioxo-1,2-benzothiazol-3-one

2-ethyl-6-(2-ethylpiperidine-1-carbonyl)-1,1-dioxo-1,2-benzothiazol-3-one (PubChem CID 87023575) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-ethyl-6-(2-ethylpiperidine-1-carbonyl)-1,1-dioxo-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name2-ethyl-6-(2-ethylpiperidine-1-carbonyl)-1,1-dioxo-1,2-benzothiazol-3-one
PubChem CID87023575
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name2-ethyl-6-(2-ethylpiperidine-1-carbonyl)-1,1-dioxo-1,2-benzothiazol-3-one
SMILESCCC1CCCCN1C(=O)c1ccc2c(c1)S(=O)(=O)N(CC)C2=O
InChIInChI=1S/C17H22N2O4S/c1-3-13-7-5-6-10-18(13)16(20)12-8-9-14-15(11-12)24(22,23)19(4-2)17(14)21/h8-9,11,13H,3-7,10H2,1-2H3
InChIKeyXVQZESMTILVHQP-UHFFFAOYSA-N
XLogP2.26
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(aminomethyl)piperidine-1-carbonyl]-2-(2-methoxyethyl)-1,1-dioxo-1,2-benzothiazol-3-one
CID 119468267
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(2,3-dimethylquinoxalin-6-yl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 51711835
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
(4-bromo-3-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 112705639
(2-ethylpyrrolidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 110619094
1-[4-[4-(2-ethylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046470
2-ethyl-1,1,3-trioxo-N-(pyrrolidin-2-ylmethyl)-1,2-benzothiazole-6-carboxamide
CID 119514890
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104
(2-ethylpiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone
CID 63210086
(4-amino-3-methoxyphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 104782396
6-(2-ethylazepane-1-carbonyl)-1,3-dihydroindol-2-one
CID 102712720

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(2-ethylpiperidine-1-carbonyl)-1,1-dioxo-1,2-benzothiazol-3-one?
The IUPAC name of 2-ethyl-6-(2-ethylpiperidine-1-carbonyl)-1,1-dioxo-1,2-benzothiazol-3-one (CID 87023575) is 2-ethyl-6-(2-ethylpiperidine-1-carbonyl)-1,1-dioxo-1,2-benzothiazol-3-one.
What is the SMILES notation for 2-ethyl-6-(2-ethylpiperidine-1-carbonyl)-1,1-dioxo-1,2-benzothiazol-3-one?
The canonical SMILES for 2-ethyl-6-(2-ethylpiperidine-1-carbonyl)-1,1-dioxo-1,2-benzothiazol-3-one is CCC1CCCCN1C(=O)c1ccc2c(c1)S(=O)(=O)N(CC)C2=O.
What is the InChIKey of 2-ethyl-6-(2-ethylpiperidine-1-carbonyl)-1,1-dioxo-1,2-benzothiazol-3-one?
The InChIKey is XVQZESMTILVHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-3-13-7-5-6-10-18(13)16(20)12-8-9-14-15(11-12)24(22,23)19(4-2)17(14)21/h8-9,11,13H,3-7,10H2,1-2H3.
What are the key properties of 2-ethyl-6-(2-ethylpiperidine-1-carbonyl)-1,1-dioxo-1,2-benzothiazol-3-one?
2-ethyl-6-(2-ethylpiperidine-1-carbonyl)-1,1-dioxo-1,2-benzothiazol-3-one has a molecular weight of 350.44 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(2-ethylpiperidine-1-carbonyl)-1,1-dioxo-1,2-benzothiazol-3-one is sourced from PubChem (CID 87023575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).