(1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine

C9H12N2O2S — CID 84621691

IUPAC(1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine
SMILESNCC1CS(=O)(=O)c2ccccc2N1
InChIInChI=1S/C9H12N2O2S/c10-5-7-6-14(12,13)9-4-2-1-3-8(9)11-7/h1-4,7,11H,5-6,10H2
InChIKeyJCHZXSMUFRLSNB-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.21
Rot. Bonds1

About (1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine

(1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine (PubChem CID 84621691) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is (1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine.

Molecular Properties

Compound Name(1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine
PubChem CID84621691
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name(1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine
SMILESNCC1CS(=O)(=O)c2ccccc2N1
InChIInChI=1S/C9H12N2O2S/c10-5-7-6-14(12,13)9-4-2-1-3-8(9)11-7/h1-4,7,11H,5-6,10H2
InChIKeyJCHZXSMUFRLSNB-UHFFFAOYSA-N
XLogP0.21
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine
CID 84625983
(7-ethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine
CID 84629754
[(2S)-2,3-dihydro-1H-indol-2-yl]methanamine
CID 82667971
3-ethyl-5-fluoro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 84625811
(6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanol
CID 84625306
3-ethyl-7-fluoro-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 84625806
2-(7-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetonitrile
CID 84628370
2-(6-methyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetonitrile
CID 84628383
2-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)acetic acid
CID 84637590
5-chloro-3-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 84632115
3-(5-bromo-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)propanoic acid
CID 84646458
1,1-dioxo-2,3-dihydro-1,3-benzothiazole-2-carboxamide
CID 152537696

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine?
The IUPAC name of (1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine (CID 84621691) is (1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine.
What is the SMILES notation for (1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine?
The canonical SMILES for (1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine is NCC1CS(=O)(=O)c2ccccc2N1.
What is the InChIKey of (1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine?
The InChIKey is JCHZXSMUFRLSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c10-5-7-6-14(12,13)9-4-2-1-3-8(9)11-7/h1-4,7,11H,5-6,10H2.
What are the key properties of (1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine?
(1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine has a molecular weight of 212.27 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine is sourced from PubChem (CID 84621691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).