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

C17H16N2O3S — CID 110784771

IUPACbenzyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate
SMILESO=C1CSc2ccc(CNC(=O)OCc3ccccc3)cc2N1
InChIInChI=1S/C17H16N2O3S/c20-16-11-23-15-7-6-13(8-14(15)19-16)9-18-17(21)22-10-12-4-2-1-3-5-12/h1-8H,9-11H2,(H,18,21)(H,19,20)
InChIKeyCCJKCCKRCQLDJX-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.16
Rot. Bonds4

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

benzyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate (PubChem CID 110784771) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is benzyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate
PubChem CID110784771
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Namebenzyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate
SMILESO=C1CSc2ccc(CNC(=O)OCc3ccccc3)cc2N1
InChIInChI=1S/C17H16N2O3S/c20-16-11-23-15-7-6-13(8-14(15)19-16)9-18-17(21)22-10-12-4-2-1-3-5-12/h1-8H,9-11H2,(H,18,21)(H,19,20)
InChIKeyCCJKCCKRCQLDJX-UHFFFAOYSA-N
XLogP3.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate
CID 110784769
1-amino-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]urea
CID 115192676
2-(2-fluorophenyl)-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]acetamide
CID 110784785
N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]propanamide
CID 110784725
2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-phenylacetamide
CID 110771518
2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 110771494
(4-fluorophenyl)methyl N-benzylcarbamate
CID 11334433
2-(2-methylphenyl)-N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]acetamide
CID 110790833
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylpropanamide
CID 37015148
6-benzoyl-4H-1,4-benzothiazin-3-one
CID 11958353
6-[(2,3-dihydroxypropylamino)methyl]-4H-1,4-benzothiazin-3-one
CID 115122131
N-benzyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 22550066

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate?
The IUPAC name of benzyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate (CID 110784771) is benzyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate?
The canonical SMILES for benzyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate is O=C1CSc2ccc(CNC(=O)OCc3ccccc3)cc2N1.
What is the InChIKey of benzyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate?
The InChIKey is CCJKCCKRCQLDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c20-16-11-23-15-7-6-13(8-14(15)19-16)9-18-17(21)22-10-12-4-2-1-3-5-12/h1-8H,9-11H2,(H,18,21)(H,19,20).
What are the key properties of benzyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate?
benzyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate has a molecular weight of 328.39 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate is sourced from PubChem (CID 110784771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).