3-(ethylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)butanamide

C14H19N3O2S — CID 62837216

IUPAC3-(ethylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)butanamide
SMILESCCNC(C)CC(=O)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C14H19N3O2S/c1-3-15-9(2)6-13(18)16-10-4-5-12-11(7-10)17-14(19)8-20-12/h4-5,7,9,15H,3,6,8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyXYYDVRLRUQMTSB-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.06
Rot. Bonds5

About 3-(ethylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)butanamide

3-(ethylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)butanamide (PubChem CID 62837216) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-(ethylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)butanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)butanamide
PubChem CID62837216
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name3-(ethylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)butanamide
SMILESCCNC(C)CC(=O)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C14H19N3O2S/c1-3-15-9(2)6-13(18)16-10-4-5-12-11(7-10)17-14(19)8-20-12/h4-5,7,9,15H,3,6,8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyXYYDVRLRUQMTSB-UHFFFAOYSA-N
XLogP2.06
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 115138762
3-chloro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 43699746
6-(ethylamino)-4H-1,4-benzothiazin-3-one
CID 43229079
2-bromo-3-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)butanamide
CID 43699749
2,2-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 113219045
2-(2,4-dimethylphenoxy)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 35875238
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylpropanamide
CID 37015148
6-(1-aminopropan-2-ylamino)-4H-1,4-benzothiazin-3-one
CID 103388562
N-[4-(dimethylamino)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 110771553
2-(cyclopentylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 60850681
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-(prop-2-enylamino)acetamide
CID 79286230
2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-phenylacetamide
CID 110771518

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)butanamide?
The IUPAC name of 3-(ethylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)butanamide (CID 62837216) is 3-(ethylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)butanamide.
What is the SMILES notation for 3-(ethylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)butanamide?
The canonical SMILES for 3-(ethylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)butanamide is CCNC(C)CC(=O)Nc1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of 3-(ethylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)butanamide?
The InChIKey is XYYDVRLRUQMTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-3-15-9(2)6-13(18)16-10-4-5-12-11(7-10)17-14(19)8-20-12/h4-5,7,9,15H,3,6,8H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 3-(ethylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)butanamide?
3-(ethylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)butanamide has a molecular weight of 293.39 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)butanamide is sourced from PubChem (CID 62837216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).