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

C17H24N2O2S — CID 4877312

IUPACN-(6-methylheptan-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCC(C)CCCC(C)NC(=O)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C17H24N2O2S/c1-11(2)5-4-6-12(3)18-17(21)13-7-8-15-14(9-13)19-16(20)10-22-15/h7-9,11-12H,4-6,10H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyMUIBFMYWYSJMHZ-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.68
Rot. Bonds6

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

N-(6-methylheptan-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 4877312) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is N-(6-methylheptan-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-(6-methylheptan-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID4877312
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC NameN-(6-methylheptan-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCC(C)CCCC(C)NC(=O)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C17H24N2O2S/c1-11(2)5-4-6-12(3)18-17(21)13-7-8-15-14(9-13)19-16(20)10-22-15/h7-9,11-12H,4-6,10H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyMUIBFMYWYSJMHZ-UHFFFAOYSA-N
XLogP3.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzothiazine-6-carboxamide
CID 60533644
4-methoxy-2-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]butanoic acid
CID 120701904
N-ethoxy-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 17412810
N-[1-(2-methylphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 17420016
N-(2-methoxyethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 3237736
N-[(2S)-1-aminopropan-2-yl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide;hydrochloride
CID 120507401
3-oxo-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-4H-1,4-benzothiazine-6-carboxamide
CID 51118129
[2-(3-methylbutylamino)-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 7292036
N-[2-(ethylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 119504574
3-oxo-N-phenyl-4H-1,4-benzothiazine-6-carboxamide
CID 24643274
N-(3-amino-2-hydroxy-3-oxopropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 107260991
N-(cyclohexylmethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2712276

Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptan-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-(6-methylheptan-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 4877312) is N-(6-methylheptan-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-(6-methylheptan-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-(6-methylheptan-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide is CC(C)CCCC(C)NC(=O)c1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of N-(6-methylheptan-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is MUIBFMYWYSJMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-11(2)5-4-6-12(3)18-17(21)13-7-8-15-14(9-13)19-16(20)10-22-15/h7-9,11-12H,4-6,10H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of N-(6-methylheptan-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-(6-methylheptan-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 320.46 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptan-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 4877312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).