(2R)-6-chloro-2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one

C15H17ClN2O3S — CID 94145778

IUPAC(2R)-6-chloro-2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
SMILESC[C@@H]1COCCN1C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O
InChIInChI=1S/C15H17ClN2O3S/c1-9-8-21-5-4-18(9)14(19)7-13-15(20)17-11-6-10(16)2-3-12(11)22-13/h2-3,6,9,13H,4-5,7-8H2,1H3,(H,17,20)/t9-,13-/m1/s1
InChIKeySKSXMOQZGPIGJH-NOZJJQNGSA-N
MW340.83 g/mol
LogP2.39
Rot. Bonds2

About (2R)-6-chloro-2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one

(2R)-6-chloro-2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one (PubChem CID 94145778) has the molecular formula C15H17ClN2O3S and a molecular weight of 340.83 g/mol. Its IUPAC name is (2R)-6-chloro-2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name(2R)-6-chloro-2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
PubChem CID94145778
Molecular FormulaC15H17ClN2O3S
Molecular Weight340.83 g/mol
Exact Mass340.06
IUPAC Name(2R)-6-chloro-2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
SMILESC[C@@H]1COCCN1C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O
InChIInChI=1S/C15H17ClN2O3S/c1-9-8-21-5-4-18(9)14(19)7-13-15(20)17-11-6-10(16)2-3-12(11)22-13/h2-3,6,9,13H,4-5,7-8H2,1H3,(H,17,20)/t9-,13-/m1/s1
InChIKeySKSXMOQZGPIGJH-NOZJJQNGSA-N
XLogP2.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-6-chloro-2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one?
The IUPAC name of (2R)-6-chloro-2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one (CID 94145778) is (2R)-6-chloro-2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for (2R)-6-chloro-2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one?
The canonical SMILES for (2R)-6-chloro-2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one is C[C@@H]1COCCN1C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O.
What is the InChIKey of (2R)-6-chloro-2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one?
The InChIKey is SKSXMOQZGPIGJH-NOZJJQNGSA-N. The full InChI is InChI=1S/C15H17ClN2O3S/c1-9-8-21-5-4-18(9)14(19)7-13-15(20)17-11-6-10(16)2-3-12(11)22-13/h2-3,6,9,13H,4-5,7-8H2,1H3,(H,17,20)/t9-,13-/m1/s1.
What are the key properties of (2R)-6-chloro-2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one?
(2R)-6-chloro-2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one has a molecular weight of 340.83 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-chloro-2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 94145778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).