2-(6-amino-2,2-dimethyl-3H-1,4-benzothiazin-4-yl)cyclopent-2-en-1-one

C15H18N2OS — CID 73353402

IUPAC2-(6-amino-2,2-dimethyl-3H-1,4-benzothiazin-4-yl)cyclopent-2-en-1-one
SMILESCC1(C)CN(C2=CCCC2=O)c2cc(N)ccc2S1
InChIInChI=1S/C15H18N2OS/c1-15(2)9-17(11-4-3-5-13(11)18)12-8-10(16)6-7-14(12)19-15/h4,6-8H,3,5,9,16H2,1-2H3
InChIKeyFLEMNPIPFLIJML-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.21
Rot. Bonds1

About 2-(6-amino-2,2-dimethyl-3H-1,4-benzothiazin-4-yl)cyclopent-2-en-1-one

2-(6-amino-2,2-dimethyl-3H-1,4-benzothiazin-4-yl)cyclopent-2-en-1-one (PubChem CID 73353402) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-(6-amino-2,2-dimethyl-3H-1,4-benzothiazin-4-yl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-(6-amino-2,2-dimethyl-3H-1,4-benzothiazin-4-yl)cyclopent-2-en-1-one
PubChem CID73353402
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-(6-amino-2,2-dimethyl-3H-1,4-benzothiazin-4-yl)cyclopent-2-en-1-one
SMILESCC1(C)CN(C2=CCCC2=O)c2cc(N)ccc2S1
InChIInChI=1S/C15H18N2OS/c1-15(2)9-17(11-4-3-5-13(11)18)12-8-10(16)6-7-14(12)19-15/h4,6-8H,3,5,9,16H2,1-2H3
InChIKeyFLEMNPIPFLIJML-UHFFFAOYSA-N
XLogP3.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(6-amino-2,2-dimethyl-3H-1,4-benzothiazin-4-yl)cyclopent-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,2-dimethyl-3H-1,4-benzothiazin-4-yl)cyclopent-2-en-1-one
CID 71682176
2-(2,2-dimethyl-6-nitro-3H-1,4-benzothiazin-4-yl)cyclopent-2-en-1-one
CID 10470304
N-[2,2-dimethyl-4-(5-oxocyclopenten-1-yl)-3H-1,4-benzothiazin-6-yl]acetamide
CID 71682323
6-Amino-4-methyl-2H-1,4-benzothiazin-3(4H)-one
CID 21988147
6-Amino-2-ethyl-4-(2-fluoroethyl)-1,4-benzothiazin-3-one
CID 84615664
6-Amino-3,4-dihydro-1,4-benzothiazin-2-one
CID 15719038
1-(6-amino-3,4-dihydro-2H-1,4-benzothiazin-4-yl)ethan-1-one
CID 45791602
2-[6-(hydroperoxyamino)-2,2-dimethyl-3H-1,4-benzothiazin-4-yl]cyclopent-2-en-1-one
CID 57541181
2-(6-isocyano-2,2-dimethyl-3H-1,4-benzothiazin-4-yl)cyclopent-2-en-1-one
CID 57541191
4-Pentyl-2,3-dihydro-1,4-benzothiazin-6-amine
CID 59144111
1-(2,2-dimethyl-6-nitro-3H-1,4-benzothiazin-4-yl)propan-2-one
CID 60001545
6-amino-2,2-dimethyl-4H-1,4-benzothiazin-3-one
CID 67129980

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-2,2-dimethyl-3H-1,4-benzothiazin-4-yl)cyclopent-2-en-1-one?
The IUPAC name of 2-(6-amino-2,2-dimethyl-3H-1,4-benzothiazin-4-yl)cyclopent-2-en-1-one (CID 73353402) is 2-(6-amino-2,2-dimethyl-3H-1,4-benzothiazin-4-yl)cyclopent-2-en-1-one.
What is the SMILES notation for 2-(6-amino-2,2-dimethyl-3H-1,4-benzothiazin-4-yl)cyclopent-2-en-1-one?
The canonical SMILES for 2-(6-amino-2,2-dimethyl-3H-1,4-benzothiazin-4-yl)cyclopent-2-en-1-one is CC1(C)CN(C2=CCCC2=O)c2cc(N)ccc2S1.
What is the InChIKey of 2-(6-amino-2,2-dimethyl-3H-1,4-benzothiazin-4-yl)cyclopent-2-en-1-one?
The InChIKey is FLEMNPIPFLIJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-15(2)9-17(11-4-3-5-13(11)18)12-8-10(16)6-7-14(12)19-15/h4,6-8H,3,5,9,16H2,1-2H3.
What are the key properties of 2-(6-amino-2,2-dimethyl-3H-1,4-benzothiazin-4-yl)cyclopent-2-en-1-one?
2-(6-amino-2,2-dimethyl-3H-1,4-benzothiazin-4-yl)cyclopent-2-en-1-one has a molecular weight of 274.39 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2,2-dimethyl-3H-1,4-benzothiazin-4-yl)cyclopent-2-en-1-one is sourced from PubChem (CID 73353402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).