(3,3-dimethyl-1,1-dioxo-2,4-dihydro-1λ6,4-benzothiazin-5-yl)methanamine

C11H16N2O2S — CID 115095877

IUPAC(3,3-dimethyl-1,1-dioxo-2,4-dihydro-1λ6,4-benzothiazin-5-yl)methanamine
SMILESCC1(C)CS(=O)(=O)c2cccc(CN)c2N1
InChIInChI=1S/C11H16N2O2S/c1-11(2)7-16(14,15)9-5-3-4-8(6-12)10(9)13-11/h3-5,13H,6-7,12H2,1-2H3
InChIKeyPDSNFAWJHRZVGM-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.12
Rot. Bonds1

About (3,3-dimethyl-1,1-dioxo-2,4-dihydro-1λ6,4-benzothiazin-5-yl)methanamine

(3,3-dimethyl-1,1-dioxo-2,4-dihydro-1λ6,4-benzothiazin-5-yl)methanamine (PubChem CID 115095877) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is (3,3-dimethyl-1,1-dioxo-2,4-dihydro-1λ6,4-benzothiazin-5-yl)methanamine.

Molecular Properties

Compound Name(3,3-dimethyl-1,1-dioxo-2,4-dihydro-1λ6,4-benzothiazin-5-yl)methanamine
PubChem CID115095877
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name(3,3-dimethyl-1,1-dioxo-2,4-dihydro-1λ6,4-benzothiazin-5-yl)methanamine
SMILESCC1(C)CS(=O)(=O)c2cccc(CN)c2N1
InChIInChI=1S/C11H16N2O2S/c1-11(2)7-16(14,15)9-5-3-4-8(6-12)10(9)13-11/h3-5,13H,6-7,12H2,1-2H3
InChIKeyPDSNFAWJHRZVGM-UHFFFAOYSA-N
XLogP1.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
CID 84621585
8-(aminomethyl)-3,4-dihydro-1H-quinazolin-2-one
CID 143550005
5-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one
CID 115095793
1-[2-(aminomethyl)phenyl]-4,4-dimethyl-1,3-diazinan-2-one
CID 105493253
8-(aminomethyl)-4-ethyl-3,3-dimethyl-1H-quinoxalin-2-one
CID 115096627
8-(aminomethyl)-4-propan-2-yl-1,3-dihydroquinoxalin-2-one
CID 115096601
(2-methyl-2,3-dihydro-1H-indol-7-yl)methanamine
CID 117203931
1-(5-ethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)-N-methylmethanamine
CID 84635329
3-ethyl-3-methyl-5-phenyl-4,5-dihydro-2H-1λ6,4-benzothiazepine 1,1-dioxide
CID 54263126
(5-fluoro-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-3-yl)methanamine
CID 84625983
8-(aminomethyl)-2,2-dimethyl-4H-1,4-benzothiazin-3-one
CID 115096446
[4-(aminomethyl)-1,1-dioxo-1-benzothiophen-3-yl]methanol
CID 117170557

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyl-1,1-dioxo-2,4-dihydro-1λ6,4-benzothiazin-5-yl)methanamine?
The IUPAC name of (3,3-dimethyl-1,1-dioxo-2,4-dihydro-1λ6,4-benzothiazin-5-yl)methanamine (CID 115095877) is (3,3-dimethyl-1,1-dioxo-2,4-dihydro-1λ6,4-benzothiazin-5-yl)methanamine.
What is the SMILES notation for (3,3-dimethyl-1,1-dioxo-2,4-dihydro-1λ6,4-benzothiazin-5-yl)methanamine?
The canonical SMILES for (3,3-dimethyl-1,1-dioxo-2,4-dihydro-1λ6,4-benzothiazin-5-yl)methanamine is CC1(C)CS(=O)(=O)c2cccc(CN)c2N1.
What is the InChIKey of (3,3-dimethyl-1,1-dioxo-2,4-dihydro-1λ6,4-benzothiazin-5-yl)methanamine?
The InChIKey is PDSNFAWJHRZVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-11(2)7-16(14,15)9-5-3-4-8(6-12)10(9)13-11/h3-5,13H,6-7,12H2,1-2H3.
What are the key properties of (3,3-dimethyl-1,1-dioxo-2,4-dihydro-1λ6,4-benzothiazin-5-yl)methanamine?
(3,3-dimethyl-1,1-dioxo-2,4-dihydro-1λ6,4-benzothiazin-5-yl)methanamine has a molecular weight of 240.33 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyl-1,1-dioxo-2,4-dihydro-1λ6,4-benzothiazin-5-yl)methanamine is sourced from PubChem (CID 115095877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).