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

C11H12N2O3S — CID 110784769

IUPACmethyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate
SMILESCOC(=O)NCc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C11H12N2O3S/c1-16-11(15)12-5-7-2-3-9-8(4-7)13-10(14)6-17-9/h2-4H,5-6H2,1H3,(H,12,15)(H,13,14)
InChIKeySOSPKAAPDPEING-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.59
Rot. Bonds2

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

methyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate (PubChem CID 110784769) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is methyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate
PubChem CID110784769
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Namemethyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate
SMILESCOC(=O)NCc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C11H12N2O3S/c1-16-11(15)12-5-7-2-3-9-8(4-7)13-10(14)6-17-9/h2-4H,5-6H2,1H3,(H,12,15)(H,13,14)
InChIKeySOSPKAAPDPEING-UHFFFAOYSA-N
XLogP1.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]propanamide
CID 110784725
benzyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate
CID 110784771
1-amino-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]urea
CID 115192676
N-[(4-methoxyphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 110771492
2-amino-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]propanamide
CID 115152395
2-(2-fluorophenyl)-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]acetamide
CID 110784785
6-[(propan-2-ylamino)methyl]-4H-1,4-benzothiazin-3-one
CID 82476497
N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]thiophene-2-carboxamide
CID 110784738
2-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]acetamide
CID 115259923
3-fluoro-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzamide
CID 110784744
N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55662714
2,2-dimethyl-N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]propanamide
CID 110790796

Frequently Asked Questions

What is the IUPAC name of methyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate?
The IUPAC name of methyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate (CID 110784769) is methyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate.
What is the SMILES notation for methyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate?
The canonical SMILES for methyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate is COC(=O)NCc1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of methyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate?
The InChIKey is SOSPKAAPDPEING-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-16-11(15)12-5-7-2-3-9-8(4-7)13-10(14)6-17-9/h2-4H,5-6H2,1H3,(H,12,15)(H,13,14).
What are the key properties of methyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate?
methyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate has a molecular weight of 252.29 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate is sourced from PubChem (CID 110784769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).