N-(cyclohexylmethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C16H20N2O2S — CID 2712276

IUPACN-(cyclohexylmethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESO=C1CSc2ccc(C(=O)NCC3CCCCC3)cc2N1
InChIInChI=1S/C16H20N2O2S/c19-15-10-21-14-7-6-12(8-13(14)18-15)16(20)17-9-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H,17,20)(H,18,19)
InChIKeyAZVKUPNREXXVEG-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.04
Rot. Bonds3

About N-(cyclohexylmethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-(cyclohexylmethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 2712276) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID2712276
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-(cyclohexylmethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESO=C1CSc2ccc(C(=O)NCC3CCCCC3)cc2N1
InChIInChI=1S/C16H20N2O2S/c19-15-10-21-14-7-6-12(8-13(14)18-15)16(20)17-9-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H,17,20)(H,18,19)
InChIKeyAZVKUPNREXXVEG-UHFFFAOYSA-N
XLogP3.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 119619160
cyclohexylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 7239139
3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide
CID 119554967
N-(2-methoxyethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 3237736
N-[(1-hydroxycyclobutyl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 115643288
1-[[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449165
3-oxo-N-(2-pyrrolidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide;hydrochloride
CID 119533362
N-[2-(ethylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 119504574
N-[2-(hydroxymethyl)cyclopentyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 103751180
N-ethoxy-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 17412810
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 4993985
N-[3-(2-methylpiperidin-1-yl)propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 3504234

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 2712276) is N-(cyclohexylmethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide is O=C1CSc2ccc(C(=O)NCC3CCCCC3)cc2N1.
What is the InChIKey of N-(cyclohexylmethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is AZVKUPNREXXVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c19-15-10-21-14-7-6-12(8-13(14)18-15)16(20)17-9-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H,17,20)(H,18,19).
What are the key properties of N-(cyclohexylmethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-(cyclohexylmethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 2712276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).