2-amino-2-cyclopropyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide

C14H17N3O2S — CID 60867171

IUPAC2-amino-2-cyclopropyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
SMILESCC(N)(C(=O)Nc1ccc2c(c1)NC(=O)CS2)C1CC1
InChIInChI=1S/C14H17N3O2S/c1-14(15,8-2-3-8)13(19)16-9-4-5-11-10(6-9)17-12(18)7-20-11/h4-6,8H,2-3,7,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyZNAUTJWDSPDOFK-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.80
Rot. Bonds3

About 2-amino-2-cyclopropyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide

2-amino-2-cyclopropyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide (PubChem CID 60867171) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
PubChem CID60867171
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-amino-2-cyclopropyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
SMILESCC(N)(C(=O)Nc1ccc2c(c1)NC(=O)CS2)C1CC1
InChIInChI=1S/C14H17N3O2S/c1-14(15,8-2-3-8)13(19)16-9-4-5-11-10(6-9)17-12(18)7-20-11/h4-6,8H,2-3,7,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyZNAUTJWDSPDOFK-UHFFFAOYSA-N
XLogP1.80
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(methylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 55122169
1-(2,2-dimethylpropyl)-3-(3-oxo-4H-1,4-benzothiazin-6-yl)urea
CID 110774699
3-cyclohexyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 31720740
3-amino-N-(3-oxo-4H-1,4-benzothiazin-6-yl)cyclopentane-1-carboxamide
CID 66008736
N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide
CID 63006250
2,2-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 113219045
1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea
CID 31772262
3,5-dimethyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 37015182
2-amino-2-cyclopropyl-N-(3-hydroxy-4-methylphenyl)propanamide
CID 107701447
(2R)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)piperidine-2-carboxamide
CID 103808228
3-hydroxy-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 115138762
6-(ethylamino)-4H-1,4-benzothiazin-3-one
CID 43229079

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide?
The IUPAC name of 2-amino-2-cyclopropyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide (CID 60867171) is 2-amino-2-cyclopropyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide?
The canonical SMILES for 2-amino-2-cyclopropyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide is CC(N)(C(=O)Nc1ccc2c(c1)NC(=O)CS2)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide?
The InChIKey is ZNAUTJWDSPDOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-14(15,8-2-3-8)13(19)16-9-4-5-11-10(6-9)17-12(18)7-20-11/h4-6,8H,2-3,7,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 2-amino-2-cyclopropyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide?
2-amino-2-cyclopropyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide has a molecular weight of 291.38 g/mol, XLogP of 1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide is sourced from PubChem (CID 60867171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).