6-chloro-2-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]-4H-1,4-benzothiazin-3-one

C17H21ClN2O3S — CID 48689401

IUPAC6-chloro-2-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]-4H-1,4-benzothiazin-3-one
SMILESCC1CN(C(=O)CC2Sc3ccc(Cl)cc3NC2=O)CC(C)(C)O1
InChIInChI=1S/C17H21ClN2O3S/c1-10-8-20(9-17(2,3)23-10)15(21)7-14-16(22)19-12-6-11(18)4-5-13(12)24-14/h4-6,10,14H,7-9H2,1-3H3,(H,19,22)
InChIKeyIPZURXIJPUIJNV-UHFFFAOYSA-N
MW368.89 g/mol
LogP3.17
Rot. Bonds2

About 6-chloro-2-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]-4H-1,4-benzothiazin-3-one

6-chloro-2-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]-4H-1,4-benzothiazin-3-one (PubChem CID 48689401) has the molecular formula C17H21ClN2O3S and a molecular weight of 368.89 g/mol. Its IUPAC name is 6-chloro-2-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-chloro-2-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]-4H-1,4-benzothiazin-3-one
PubChem CID48689401
Molecular FormulaC17H21ClN2O3S
Molecular Weight368.89 g/mol
Exact Mass368.10
IUPAC Name6-chloro-2-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]-4H-1,4-benzothiazin-3-one
SMILESCC1CN(C(=O)CC2Sc3ccc(Cl)cc3NC2=O)CC(C)(C)O1
InChIInChI=1S/C17H21ClN2O3S/c1-10-8-20(9-17(2,3)23-10)15(21)7-14-16(22)19-12-6-11(18)4-5-13(12)24-14/h4-6,10,14H,7-9H2,1-3H3,(H,19,22)
InChIKeyIPZURXIJPUIJNV-UHFFFAOYSA-N
XLogP3.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]-4H-1,4-benzothiazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 17393034
(2R)-6-chloro-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 25388740
2-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-6-chloro-4H-1,4-benzothiazin-3-one
CID 120819327
6-chloro-2-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 55588937
methyl 1-[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]-3-methylpyrrolidine-3-carboxylate
CID 166219259
2-[1-[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]piperidin-4-yl]acetic acid
CID 119177844
1-[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]-N-methylpiperidine-4-carboxamide
CID 55518192
(2S)-6-chloro-2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 94145780
(2R)-6-chloro-2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 94145778
2-[4-[2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]piperazin-1-yl]-N,N-diethylacetamide
CID 42123683
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]acetamide
CID 24620261
methyl 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 40591772

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-chloro-2-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]-4H-1,4-benzothiazin-3-one (CID 48689401) is 6-chloro-2-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-chloro-2-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-chloro-2-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]-4H-1,4-benzothiazin-3-one is CC1CN(C(=O)CC2Sc3ccc(Cl)cc3NC2=O)CC(C)(C)O1.
What is the InChIKey of 6-chloro-2-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]-4H-1,4-benzothiazin-3-one?
The InChIKey is IPZURXIJPUIJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3S/c1-10-8-20(9-17(2,3)23-10)15(21)7-14-16(22)19-12-6-11(18)4-5-13(12)24-14/h4-6,10,14H,7-9H2,1-3H3,(H,19,22).
What are the key properties of 6-chloro-2-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]-4H-1,4-benzothiazin-3-one?
6-chloro-2-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]-4H-1,4-benzothiazin-3-one has a molecular weight of 368.89 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 48689401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).