N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C17H23N3O3S — CID 30470823

IUPACN-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESC[C@@H]1CN(CCNC(=O)c2ccc3c(c2)NC(=O)CS3)C[C@@H](C)O1
InChIInChI=1S/C17H23N3O3S/c1-11-8-20(9-12(2)23-11)6-5-18-17(22)13-3-4-15-14(7-13)19-16(21)10-24-15/h3-4,7,11-12H,5-6,8-10H2,1-2H3,(H,18,22)(H,19,21)/t11-,12-/m1/s1
InChIKeyOIXFSLGABMENBD-VXGBXAGGSA-N
MW349.46 g/mol
LogP1.57
Rot. Bonds4

About N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 30470823) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID30470823
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESC[C@@H]1CN(CCNC(=O)c2ccc3c(c2)NC(=O)CS3)C[C@@H](C)O1
InChIInChI=1S/C17H23N3O3S/c1-11-8-20(9-12(2)23-11)6-5-18-17(22)13-3-4-15-14(7-13)19-16(21)10-24-15/h3-4,7,11-12H,5-6,8-10H2,1-2H3,(H,18,22)(H,19,21)/t11-,12-/m1/s1
InChIKeyOIXFSLGABMENBD-VXGBXAGGSA-N
XLogP1.57
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide with MolForge

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Related Compounds

3-oxo-N-(2-piperazin-1-ylethyl)-4H-1,4-benzothiazine-6-carboxamide
CID 119444793
N-[2-(ethylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 119504574
N-(2-methoxyethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 3237736
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 94622938
N-[3-(2-methylpiperidin-1-yl)propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 3504234
N-[2-(cycloheptylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 119619160
N-[2-(4-fluorophenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2712714
3-oxo-N-(3-phenylpropyl)-4H-1,4-benzothiazine-6-carboxamide
CID 17394149
N-(cyclohexylmethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2712276
N-[2-(2-chlorophenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 5142730
1-[[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449165
N-[(1-hydroxycyclobutyl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 115643288

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 30470823) is N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is C[C@@H]1CN(CCNC(=O)c2ccc3c(c2)NC(=O)CS3)C[C@@H](C)O1.
What is the InChIKey of N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is OIXFSLGABMENBD-VXGBXAGGSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-11-8-20(9-12(2)23-11)6-5-18-17(22)13-3-4-15-14(7-13)19-16(21)10-24-15/h3-4,7,11-12H,5-6,8-10H2,1-2H3,(H,18,22)(H,19,21)/t11-,12-/m1/s1.
What are the key properties of N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 30470823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).