1-[methyl-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]cyclohexane-1-carboxylic acid

C17H20N2O4S — CID 120539733

IUPAC1-[methyl-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)c1ccc2c(c1)NC(=O)CS2)C1(C(=O)O)CCCCC1
InChIInChI=1S/C17H20N2O4S/c1-19(17(16(22)23)7-3-2-4-8-17)15(21)11-5-6-13-12(9-11)18-14(20)10-24-13/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,20)(H,22,23)
InChIKeyVNZXTKUSYLERLJ-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.59
Rot. Bonds3

About 1-[methyl-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]cyclohexane-1-carboxylic acid

1-[methyl-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 120539733) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-[methyl-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[methyl-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID120539733
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name1-[methyl-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)c1ccc2c(c1)NC(=O)CS2)C1(C(=O)O)CCCCC1
InChIInChI=1S/C17H20N2O4S/c1-19(17(16(22)23)7-3-2-4-8-17)15(21)11-5-6-13-12(9-11)18-14(20)10-24-13/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,20)(H,22,23)
InChIKeyVNZXTKUSYLERLJ-UHFFFAOYSA-N
XLogP2.59
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[methyl-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 134023514
N,N-diethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 20967217
4-[methyl-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]butanoic acid
CID 43172408
1-[methyl-(2-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120539554
N-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 99811003
6-benzoyl-4H-1,4-benzothiazin-3-one
CID 11958353
1-[[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449165
1-[(4-iodobenzoyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120539598
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2450741
1-[(3-methoxy-4-propan-2-yloxybenzoyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120539762
N-[(2-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 7965448
N-[(1-hydroxycyclobutyl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 115643288

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[methyl-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 120539733) is 1-[methyl-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[methyl-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[methyl-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]cyclohexane-1-carboxylic acid is CN(C(=O)c1ccc2c(c1)NC(=O)CS2)C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[methyl-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is VNZXTKUSYLERLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-19(17(16(22)23)7-3-2-4-8-17)15(21)11-5-6-13-12(9-11)18-14(20)10-24-13/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,20)(H,22,23).
What are the key properties of 1-[methyl-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[methyl-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 348.42 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120539733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).