6-amino-3,4-dihydro-1,4-benzothiazin-2-one

C8H8N2OS — CID 15719038

IUPAC6-amino-3,4-dihydro-1,4-benzothiazin-2-one
SMILESNc1ccc2c(c1)NCC(=O)S2
InChIInChI=1S/C8H8N2OS/c9-5-1-2-7-6(3-5)10-4-8(11)12-7/h1-3,10H,4,9H2
InChIKeyHIWBYGIGYMRDPB-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.31
Rot. Bonds

About 6-amino-3,4-dihydro-1,4-benzothiazin-2-one

6-amino-3,4-dihydro-1,4-benzothiazin-2-one (PubChem CID 15719038) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 6-amino-3,4-dihydro-1,4-benzothiazin-2-one.

Molecular Properties

Compound Name6-amino-3,4-dihydro-1,4-benzothiazin-2-one
PubChem CID15719038
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name6-amino-3,4-dihydro-1,4-benzothiazin-2-one
SMILESNc1ccc2c(c1)NCC(=O)S2
InChIInChI=1S/C8H8N2OS/c9-5-1-2-7-6(3-5)10-4-8(11)12-7/h1-3,10H,4,9H2
InChIKeyHIWBYGIGYMRDPB-UHFFFAOYSA-N
XLogP1.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-6-amine
CID 7084759
2,3-Dihydro-1,4-benzothiazine
CID 151064
3,4-Dihydro-2H-benzo[1,4]thiazine hydrochloride
CID 16192655
6-amino-3,4-dihydro-2H-1,4-benzothiazin-3-one
CID 686901
2,2-dimethyl-6-nitro-3,4-dihydro-2H-1,4-benzothiazine
CID 7084552
7-Amino-3-oxo-2,5-dihydropyrido[3,4-b][1,4]benzothiazine-4-carbonitrile
CID 145955068
N-[2,2-dimethyl-4-(5-oxocyclopenten-1-yl)-3H-1,4-benzothiazin-6-yl]acetamide
CID 71682323
2-(6-amino-2,2-dimethyl-3H-1,4-benzothiazin-4-yl)cyclopent-2-en-1-one
CID 73353402
2-[3-(Diethylamino)propylamino]-1-phenothiazin-10-ylethanone
CID 3229673
(2Z)-N-butyl-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)acetamide
CID 5845692
10H-Phenothiazin-2-amine
CID 15556089
4-Ethyl-3,4-dihydro-2H-1,4-benzothiazine-2-carboximidic acid--hydrogen chloride (1/1)
CID 24835390

Frequently Asked Questions

What is the IUPAC name of 6-amino-3,4-dihydro-1,4-benzothiazin-2-one?
The IUPAC name of 6-amino-3,4-dihydro-1,4-benzothiazin-2-one (CID 15719038) is 6-amino-3,4-dihydro-1,4-benzothiazin-2-one.
What is the SMILES notation for 6-amino-3,4-dihydro-1,4-benzothiazin-2-one?
The canonical SMILES for 6-amino-3,4-dihydro-1,4-benzothiazin-2-one is Nc1ccc2c(c1)NCC(=O)S2.
What is the InChIKey of 6-amino-3,4-dihydro-1,4-benzothiazin-2-one?
The InChIKey is HIWBYGIGYMRDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c9-5-1-2-7-6(3-5)10-4-8(11)12-7/h1-3,10H,4,9H2.
What are the key properties of 6-amino-3,4-dihydro-1,4-benzothiazin-2-one?
6-amino-3,4-dihydro-1,4-benzothiazin-2-one has a molecular weight of 180.23 g/mol, XLogP of 1.31, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3,4-dihydro-1,4-benzothiazin-2-one is sourced from PubChem (CID 15719038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).