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

C16H22N2O3S — CID 58429557

IUPAC5-(2-cyclohexylethoxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
SMILESNC1=NS(=O)(=O)Cc2cccc(OCCC3CCCCC3)c21
InChIInChI=1S/C16H22N2O3S/c17-16-15-13(11-22(19,20)18-16)7-4-8-14(15)21-10-9-12-5-2-1-3-6-12/h4,7-8,12H,1-3,5-6,9-11H2,(H2,17,18)
InChIKeyBRROMRSIGSFLKT-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.58
Rot. Bonds4

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

5-(2-cyclohexylethoxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine (PubChem CID 58429557) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 5-(2-cyclohexylethoxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine.

Molecular Properties

Compound Name5-(2-cyclohexylethoxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
PubChem CID58429557
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name5-(2-cyclohexylethoxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
SMILESNC1=NS(=O)(=O)Cc2cccc(OCCC3CCCCC3)c21
InChIInChI=1S/C16H22N2O3S/c17-16-15-13(11-22(19,20)18-16)7-4-8-14(15)21-10-9-12-5-2-1-3-6-12/h4,7-8,12H,1-3,5-6,9-11H2,(H2,17,18)
InChIKeyBRROMRSIGSFLKT-UHFFFAOYSA-N
XLogP2.58
TPSA81.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-cyclohexylethoxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[2-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]ethyl]piperidine-1-carboxylate
CID 58429551
5-(3-methoxypropoxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
CID 58429353
5-butoxy-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
CID 58429548
2,2-dioxo-5-(pyrrolidin-1-ium-3-ylmethoxy)-1H-2λ6,3-benzothiazin-4-amine
CID 58429560
6-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]hexyl sulfamate
CID 58429330
1-[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]ethanone
CID 147247749
5-(2-methylidenebutoxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
CID 58429415
1-[3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]butan-1-one
CID 58429772
2-amino-N-[6-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]hexyl]acetamide
CID 58429702
2,2-dioxo-5-pentan-3-yloxy-1H-2λ6,3-benzothiazin-4-amine
CID 58429310
5-[[(3S)-1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]methoxy]-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine
CID 159417594
1-[(3S)-3-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 152876735

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexylethoxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine?
The IUPAC name of 5-(2-cyclohexylethoxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine (CID 58429557) is 5-(2-cyclohexylethoxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine.
What is the SMILES notation for 5-(2-cyclohexylethoxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine?
The canonical SMILES for 5-(2-cyclohexylethoxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine is NC1=NS(=O)(=O)Cc2cccc(OCCC3CCCCC3)c21.
What is the InChIKey of 5-(2-cyclohexylethoxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine?
The InChIKey is BRROMRSIGSFLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c17-16-15-13(11-22(19,20)18-16)7-4-8-14(15)21-10-9-12-5-2-1-3-6-12/h4,7-8,12H,1-3,5-6,9-11H2,(H2,17,18).
What are the key properties of 5-(2-cyclohexylethoxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine?
5-(2-cyclohexylethoxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine has a molecular weight of 322.43 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexylethoxy)-2,2-dioxo-1H-2λ6,3-benzothiazin-4-amine is sourced from PubChem (CID 58429557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).