4,6-diethoxy-1,1-dioxo-1,2-benzothiazol-3-one;N-ethylethanamine

C15H24N2O5S — CID 172731477

IUPAC4,6-diethoxy-1,1-dioxo-1,2-benzothiazol-3-one;N-ethylethanamine
SMILESCCNCC.CCOc1cc(OCC)c2c(c1)S(=O)(=O)NC2=O
InChIInChI=1S/C11H13NO5S.C4H11N/c1-3-16-7-5-8(17-4-2)10-9(6-7)18(14,15)12-11(10)13;1-3-5-4-2/h5-6H,3-4H2,1-2H3,(H,12,13);5H,3-4H2,1-2H3
InChIKeyHVUSCKPLXJUOON-UHFFFAOYSA-N
MW344.43 g/mol
LogP1.53
Rot. Bonds6

About 4,6-diethoxy-1,1-dioxo-1,2-benzothiazol-3-one;N-ethylethanamine

4,6-diethoxy-1,1-dioxo-1,2-benzothiazol-3-one;N-ethylethanamine (PubChem CID 172731477) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is 4,6-diethoxy-1,1-dioxo-1,2-benzothiazol-3-one;N-ethylethanamine.

Molecular Properties

Compound Name4,6-diethoxy-1,1-dioxo-1,2-benzothiazol-3-one;N-ethylethanamine
PubChem CID172731477
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Name4,6-diethoxy-1,1-dioxo-1,2-benzothiazol-3-one;N-ethylethanamine
SMILESCCNCC.CCOc1cc(OCC)c2c(c1)S(=O)(=O)NC2=O
InChIInChI=1S/C11H13NO5S.C4H11N/c1-3-16-7-5-8(17-4-2)10-9(6-7)18(14,15)12-11(10)13;1-3-5-4-2/h5-6H,3-4H2,1-2H3,(H,12,13);5H,3-4H2,1-2H3
InChIKeyHVUSCKPLXJUOON-UHFFFAOYSA-N
XLogP1.53
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethoxy-1,1-dioxo-4-propan-2-yl-1,2-benzothiazol-3-one
CID 70033335
4-ethoxy-1,1-dioxo-1,2-benzothiazol-3-one
CID 14984045
N-[(2,4-diethoxyphenyl)methyl]ethanamine
CID 54804724
tris(2,4,6-triethoxyphenyl)sulfanium acetate
CID 161016297
(2,4,6-triethoxyphenyl)methanamine
CID 95421482
2,4,6-triethoxybenzenesulfonic acid
CID 18740201
5-ethoxy-2-hydroxy-3-methoxybenzaldehyde
CID 134891933
3,5-diethoxyaniline
CID 22605063
7-butoxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
CID 82213874
1,1-dioxo-4-propan-2-yl-1,2-benzothiazol-3-one
CID 11770128
1-(2,4-diethoxy-6-hydroxyphenyl)ethanone
CID 819891
4,6-diethoxy-1H-indole-2-carboxylic acid
CID 7141872

Frequently Asked Questions

What is the IUPAC name of 4,6-diethoxy-1,1-dioxo-1,2-benzothiazol-3-one;N-ethylethanamine?
The IUPAC name of 4,6-diethoxy-1,1-dioxo-1,2-benzothiazol-3-one;N-ethylethanamine (CID 172731477) is 4,6-diethoxy-1,1-dioxo-1,2-benzothiazol-3-one;N-ethylethanamine.
What is the SMILES notation for 4,6-diethoxy-1,1-dioxo-1,2-benzothiazol-3-one;N-ethylethanamine?
The canonical SMILES for 4,6-diethoxy-1,1-dioxo-1,2-benzothiazol-3-one;N-ethylethanamine is CCNCC.CCOc1cc(OCC)c2c(c1)S(=O)(=O)NC2=O.
What is the InChIKey of 4,6-diethoxy-1,1-dioxo-1,2-benzothiazol-3-one;N-ethylethanamine?
The InChIKey is HVUSCKPLXJUOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5S.C4H11N/c1-3-16-7-5-8(17-4-2)10-9(6-7)18(14,15)12-11(10)13;1-3-5-4-2/h5-6H,3-4H2,1-2H3,(H,12,13);5H,3-4H2,1-2H3.
What are the key properties of 4,6-diethoxy-1,1-dioxo-1,2-benzothiazol-3-one;N-ethylethanamine?
4,6-diethoxy-1,1-dioxo-1,2-benzothiazol-3-one;N-ethylethanamine has a molecular weight of 344.43 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethoxy-1,1-dioxo-1,2-benzothiazol-3-one;N-ethylethanamine is sourced from PubChem (CID 172731477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).