N-(2-methoxyethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C12H14N2O3S — CID 3237736

IUPACN-(2-methoxyethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCOCCNC(=O)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C12H14N2O3S/c1-17-5-4-13-12(16)8-2-3-10-9(6-8)14-11(15)7-18-10/h2-3,6H,4-5,7H2,1H3,(H,13,16)(H,14,15)
InChIKeySSLTXXSBQXTTMG-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.11
Rot. Bonds4

About N-(2-methoxyethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-(2-methoxyethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 3237736) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID3237736
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC NameN-(2-methoxyethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCOCCNC(=O)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C12H14N2O3S/c1-17-5-4-13-12(16)8-2-3-10-9(6-8)14-11(15)7-18-10/h2-3,6H,4-5,7H2,1H3,(H,13,16)(H,14,15)
InChIKeySSLTXXSBQXTTMG-UHFFFAOYSA-N
XLogP1.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(ethylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 119504574
2-methoxy-3-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]propanoic acid
CID 106107780
N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55662714
N-[2-(2-methoxyphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 26778059
N-[2-(4-fluorophenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2712714
4-methoxy-2-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]butanoic acid
CID 120701904
3-oxo-N-(3-phenylpropyl)-4H-1,4-benzothiazine-6-carboxamide
CID 17394149
N-ethoxy-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 17412810
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
3-oxo-N-(2-piperazin-1-ylethyl)-4H-1,4-benzothiazine-6-carboxamide
CID 119444793
N-[2-(cycloheptylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 119619160

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 3237736) is N-(2-methoxyethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide is COCCNC(=O)c1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of N-(2-methoxyethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is SSLTXXSBQXTTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-17-5-4-13-12(16)8-2-3-10-9(6-8)14-11(15)7-18-10/h2-3,6H,4-5,7H2,1H3,(H,13,16)(H,14,15).
What are the key properties of N-(2-methoxyethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-(2-methoxyethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 3237736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).