N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride

C16H22ClN3O2S — CID 119573240

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride
SMILESCC1Sc2ccc(C(=O)NC(C)(CN)C3CC3)cc2NC1=O.Cl
InChIInChI=1S/C16H21N3O2S.ClH/c1-9-14(20)18-12-7-10(3-6-13(12)22-9)15(21)19-16(2,8-17)11-4-5-11;/h3,6-7,9,11H,4-5,8,17H2,1-2H3,(H,18,20)(H,19,21);1H
InChIKeyFUQGFNPDLWOTNI-UHFFFAOYSA-N
MW355.89 g/mol
LogP2.40
Rot. Bonds4

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride (PubChem CID 119573240) has the molecular formula C16H22ClN3O2S and a molecular weight of 355.89 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride
PubChem CID119573240
Molecular FormulaC16H22ClN3O2S
Molecular Weight355.89 g/mol
Exact Mass355.11
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride
SMILESCC1Sc2ccc(C(=O)NC(C)(CN)C3CC3)cc2NC1=O.Cl
InChIInChI=1S/C16H21N3O2S.ClH/c1-9-14(20)18-12-7-10(3-6-13(12)22-9)15(21)19-16(2,8-17)11-4-5-11;/h3,6-7,9,11H,4-5,8,17H2,1-2H3,(H,18,20)(H,19,21);1H
InChIKeyFUQGFNPDLWOTNI-UHFFFAOYSA-N
XLogP2.40
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.89
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride
CID 119614087
N-[(2S)-1-aminopropan-2-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride
CID 120508598
N-(3-ethylpent-1-yn-3-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 18165819
(2S)-N-methoxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 27745078
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide;hydrochloride
CID 119575673
N-(1-amino-2-cyclopropylpropan-2-yl)-1-methyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide;dihydrochloride
CID 119575005
N-(1-amino-2-cyclopropylpropan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119575617
N',N',2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide
CID 116847999
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide
CID 81485410
N-(1-adamantyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51147333
2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 42889102
2-methyl-N-(2-methylpiperidin-4-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride
CID 120598382

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride (CID 119573240) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride is CC1Sc2ccc(C(=O)NC(C)(CN)C3CC3)cc2NC1=O.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride?
The InChIKey is FUQGFNPDLWOTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S.ClH/c1-9-14(20)18-12-7-10(3-6-13(12)22-9)15(21)19-16(2,8-17)11-4-5-11;/h3,6-7,9,11H,4-5,8,17H2,1-2H3,(H,18,20)(H,19,21);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride has a molecular weight of 355.89 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide;hydrochloride is sourced from PubChem (CID 119573240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).