benzyl N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)carbamate

C17H16N2O3S — CID 110778827

IUPACbenzyl N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)carbamate
SMILESCC1Sc2ccc(NC(=O)OCc3ccccc3)cc2NC1=O
InChIInChI=1S/C17H16N2O3S/c1-11-16(20)19-14-9-13(7-8-15(14)23-11)18-17(21)22-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyXTEQZFASTPNGJQ-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.87
Rot. Bonds3

About benzyl N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)carbamate

benzyl N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)carbamate (PubChem CID 110778827) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is benzyl N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)carbamate
PubChem CID110778827
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Namebenzyl N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)carbamate
SMILESCC1Sc2ccc(NC(=O)OCc3ccccc3)cc2NC1=O
InChIInChI=1S/C17H16N2O3S/c1-11-16(20)19-14-9-13(7-8-15(14)23-11)18-17(21)22-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyXTEQZFASTPNGJQ-UHFFFAOYSA-N
XLogP3.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)carbamoyl bromide
CID 115193305
benzyl N-(4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-7-yl)carbamate
CID 166967831
2-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]acetic acid
CID 125458336
ethyl 4-[[(2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl]amino]benzoate
CID 7780126
ethyl 2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetate
CID 116932089
N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-thiazolidine-4-carboxamide
CID 110793157
benzyl N-(3-ethyl-2,3-dihydro-1,4-benzoxathiin-7-yl)carbamate
CID 59917026
(2S)-2-methyl-N-(3-methylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 7779662
N-cyclopentyl-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 110771581
6-[(3-amino-2-methylpropyl)amino]-2-methyl-4H-1,4-benzothiazin-3-one
CID 115198294
2-[(2R)-8-(phenylmethoxycarbonylamino)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-yl]acetic acid
CID 70078382
N-(2-cyanophenyl)-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 110771646

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)carbamate?
The IUPAC name of benzyl N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)carbamate (CID 110778827) is benzyl N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)carbamate.
What is the SMILES notation for benzyl N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)carbamate?
The canonical SMILES for benzyl N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)carbamate is CC1Sc2ccc(NC(=O)OCc3ccccc3)cc2NC1=O.
What is the InChIKey of benzyl N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)carbamate?
The InChIKey is XTEQZFASTPNGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-11-16(20)19-14-9-13(7-8-15(14)23-11)18-17(21)22-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of benzyl N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)carbamate?
benzyl N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)carbamate has a molecular weight of 328.39 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)carbamate is sourced from PubChem (CID 110778827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).