(3,4,5,6-tetramethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanamine

C13H20N2O2S — CID 84640902

IUPAC(3,4,5,6-tetramethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanamine
SMILESCc1ccc2c(c1C)N(C)C(C)C(CN)S2(=O)=O
InChIInChI=1S/C13H20N2O2S/c1-8-5-6-11-13(9(8)2)15(4)10(3)12(7-14)18(11,16)17/h5-6,10,12H,7,14H2,1-4H3
InChIKeyBHVRXCYTAMUDBV-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.24
Rot. Bonds1

About (3,4,5,6-tetramethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanamine

(3,4,5,6-tetramethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanamine (PubChem CID 84640902) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is (3,4,5,6-tetramethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanamine.

Molecular Properties

Compound Name(3,4,5,6-tetramethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanamine
PubChem CID84640902
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name(3,4,5,6-tetramethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanamine
SMILESCc1ccc2c(c1C)N(C)C(C)C(CN)S2(=O)=O
InChIInChI=1S/C13H20N2O2S/c1-8-5-6-11-13(9(8)2)15(4)10(3)12(7-14)18(11,16)17/h5-6,10,12H,7,14H2,1-4H3
InChIKeyBHVRXCYTAMUDBV-UHFFFAOYSA-N
XLogP1.24
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7-fluoro-3,4-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanamine
CID 84637031
2-(3,4,5-trimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)acetonitrile
CID 84639494
(3,4,5,7-tetramethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanol
CID 84641352
(1,7,8-trimethyl-3,4-dihydro-2H-quinolin-2-yl)methanamine
CID 84620410
2-(3,5,6-trimethyl-1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-2-yl)acetic acid
CID 84643300
2,2,4,5,6-pentamethyl-3H-1λ6,4-benzothiazine 1,1-dioxide
CID 84635002
3,4,5,6-tetramethyl-2,3-dihydro-1,4-benzothiazine-2-carbonitrile
CID 84627265
1,2,4-trimethyl-3-(2,3,6-trimethylphenyl)benzene
CID 22967951
3,4,5,7-tetramethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-2-carbonitrile
CID 84639503
5,6-dimethyl-2-(methylaminomethyl)-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one
CID 84640770
N-benzyl-3-(1,2-dimethyl-5,5-dioxophenothiazin-10-yl)propan-1-amine
CID 18334625
2-(2-aminoethyl)-4,7-dimethylisoindole-1,3-dione
CID 103429602

Frequently Asked Questions

What is the IUPAC name of (3,4,5,6-tetramethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanamine?
The IUPAC name of (3,4,5,6-tetramethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanamine (CID 84640902) is (3,4,5,6-tetramethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanamine.
What is the SMILES notation for (3,4,5,6-tetramethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanamine?
The canonical SMILES for (3,4,5,6-tetramethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanamine is Cc1ccc2c(c1C)N(C)C(C)C(CN)S2(=O)=O.
What is the InChIKey of (3,4,5,6-tetramethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanamine?
The InChIKey is BHVRXCYTAMUDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-8-5-6-11-13(9(8)2)15(4)10(3)12(7-14)18(11,16)17/h5-6,10,12H,7,14H2,1-4H3.
What are the key properties of (3,4,5,6-tetramethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanamine?
(3,4,5,6-tetramethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanamine has a molecular weight of 268.38 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4,5,6-tetramethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanamine is sourced from PubChem (CID 84640902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).