2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one

C16H20N2O4S — CID 16803787

IUPAC2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
SMILESCCC1CCCCN1C(=O)CN1C(=O)c2ccccc2S1(=O)=O
InChIInChI=1S/C16H20N2O4S/c1-2-12-7-5-6-10-17(12)15(19)11-18-16(20)13-8-3-4-9-14(13)23(18,21)22/h3-4,8-9,12H,2,5-7,10-11H2,1H3
InChIKeyVUNVJFCOXDYOQF-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.62
Rot. Bonds3

About 2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one

2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one (PubChem CID 16803787) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
PubChem CID16803787
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
SMILESCCC1CCCCN1C(=O)CN1C(=O)c2ccccc2S1(=O)=O
InChIInChI=1S/C16H20N2O4S/c1-2-12-7-5-6-10-17(12)15(19)11-18-16(20)13-8-3-4-9-14(13)23(18,21)22/h3-4,8-9,12H,2,5-7,10-11H2,1H3
InChIKeyVUNVJFCOXDYOQF-UHFFFAOYSA-N
XLogP1.62
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one with MolForge

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Related Compounds

2-methyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
CID 27290
N-Benzylsaccharin
CID 95841
Saccharin N-(2-acetic acid methyl ester)
CID 81142
(1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3h)-yl)acetonitrile
CID 239728
2-(2-Oxopropyl)-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione
CID 706033
1,2-Benzisothiazol-3(2H)-one, 2-(2-oxo-3-piperidinyl)-, 1,1-dioxide
CID 39528
2-[[4-(Cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-one
CID 9117962
2-[2-(4-Fluorophenyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 2814914
2-[(4-Tert-butylphenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 3908167
2-[(2-Methylphenyl)methyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione
CID 4801151
2-[2-(2-Fluorophenyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 7433343
2-[2-(3,4-Difluorophenyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 7560362

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one?
The IUPAC name of 2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one (CID 16803787) is 2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one.
What is the SMILES notation for 2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one?
The canonical SMILES for 2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one is CCC1CCCCN1C(=O)CN1C(=O)c2ccccc2S1(=O)=O.
What is the InChIKey of 2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one?
The InChIKey is VUNVJFCOXDYOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-2-12-7-5-6-10-17(12)15(19)11-18-16(20)13-8-3-4-9-14(13)23(18,21)22/h3-4,8-9,12H,2,5-7,10-11H2,1H3.
What are the key properties of 2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one?
2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one has a molecular weight of 336.41 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one is sourced from PubChem (CID 16803787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).