5-(1,3-diethoxypropan-2-yloxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine

C15H22N2O5S — CID 58429695

IUPAC5-(1,3-diethoxypropan-2-yloxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
SMILESCCOCC(COCC)Oc1cccc2c1C(N)=NS(=O)(=O)C2
InChIInChI=1S/C15H22N2O5S/c1-3-20-8-12(9-21-4-2)22-13-7-5-6-11-10-23(18,19)17-15(16)14(11)13/h5-7,12H,3-4,8-10H2,1-2H3,(H2,16,17)
InChIKeyBMPFUBLMNUPIDH-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.06
Rot. Bonds8

About 5-(1,3-diethoxypropan-2-yloxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine

5-(1,3-diethoxypropan-2-yloxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine (PubChem CID 58429695) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is 5-(1,3-diethoxypropan-2-yloxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine.

Molecular Properties

Compound Name5-(1,3-diethoxypropan-2-yloxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
PubChem CID58429695
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name5-(1,3-diethoxypropan-2-yloxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
SMILESCCOCC(COCC)Oc1cccc2c1C(N)=NS(=O)(=O)C2
InChIInChI=1S/C15H22N2O5S/c1-3-20-8-12(9-21-4-2)22-13-7-5-6-11-10-23(18,19)17-15(16)14(11)13/h5-7,12H,3-4,8-10H2,1-2H3,(H2,16,17)
InChIKeyBMPFUBLMNUPIDH-UHFFFAOYSA-N
XLogP1.06
TPSA100.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-dioxo-5-pentan-3-yloxy-1H-2λ6,3-benzothiazin-4-amine
CID 58429310
5-(3-methoxypropoxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
CID 58429353
5-(2-methylidenebutoxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
CID 58429415
5-(2-cyclohexylethoxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
CID 58429557
2,2-dioxo-5-prop-1-en-2-yl-1H-2λ6,3-benzothiazin-4-amine
CID 58429386
5-N-hexyl-2,2-dioxo-1H-2λ6,3-benzothiazine-4,5-diamine
CID 58429255
5-methylsulfonyl-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
CID 58429326
2,2-dioxo-5-(pyrrolidin-1-ium-3-ylmethoxy)-1H-2λ6,3-benzothiazin-4-amine
CID 58429560
5-[(E)-3-methoxyprop-1-enyl]-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
CID 58429745
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-hydroxybenzamide
CID 158337892
1-[3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]butan-1-one
CID 58429772
tert-butyl 4-[2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]ethyl]piperidine-1-carboxylate
CID 58429551

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-diethoxypropan-2-yloxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine?
The IUPAC name of 5-(1,3-diethoxypropan-2-yloxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine (CID 58429695) is 5-(1,3-diethoxypropan-2-yloxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine.
What is the SMILES notation for 5-(1,3-diethoxypropan-2-yloxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine?
The canonical SMILES for 5-(1,3-diethoxypropan-2-yloxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine is CCOCC(COCC)Oc1cccc2c1C(N)=NS(=O)(=O)C2.
What is the InChIKey of 5-(1,3-diethoxypropan-2-yloxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine?
The InChIKey is BMPFUBLMNUPIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-3-20-8-12(9-21-4-2)22-13-7-5-6-11-10-23(18,19)17-15(16)14(11)13/h5-7,12H,3-4,8-10H2,1-2H3,(H2,16,17).
What are the key properties of 5-(1,3-diethoxypropan-2-yloxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine?
5-(1,3-diethoxypropan-2-yloxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine has a molecular weight of 342.42 g/mol, XLogP of 1.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-diethoxypropan-2-yloxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine is sourced from PubChem (CID 58429695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).