8-(aminomethyl)-2,2-dimethyl-4H-1,4-benzothiazin-3-one

C11H14N2OS — CID 115096446

IUPAC8-(aminomethyl)-2,2-dimethyl-4H-1,4-benzothiazin-3-one
SMILESCC1(C)Sc2c(CN)cccc2NC1=O
InChIInChI=1S/C11H14N2OS/c1-11(2)10(14)13-8-5-3-4-7(6-12)9(8)15-11/h3-5H,6,12H2,1-2H3,(H,13,14)
InChIKeyOKZVRQSNLVIHFF-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.97
Rot. Bonds1

About 8-(aminomethyl)-2,2-dimethyl-4H-1,4-benzothiazin-3-one

8-(aminomethyl)-2,2-dimethyl-4H-1,4-benzothiazin-3-one (PubChem CID 115096446) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 8-(aminomethyl)-2,2-dimethyl-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name8-(aminomethyl)-2,2-dimethyl-4H-1,4-benzothiazin-3-one
PubChem CID115096446
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name8-(aminomethyl)-2,2-dimethyl-4H-1,4-benzothiazin-3-one
SMILESCC1(C)Sc2c(CN)cccc2NC1=O
InChIInChI=1S/C11H14N2OS/c1-11(2)10(14)13-8-5-3-4-7(6-12)9(8)15-11/h3-5H,6,12H2,1-2H3,(H,13,14)
InChIKeyOKZVRQSNLVIHFF-UHFFFAOYSA-N
XLogP1.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-4H-1,4-benzothiazin-3-one
CID 13293492
3,3-dimethyl-1H-pyrido[2,3-b][1,4]thiazin-2-one
CID 15633560
5-ethyl-3,3-dimethyl-1,4-dihydroquinoxalin-2-one
CID 84620322
8-(aminomethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
CID 115096051
9-bromo-3,3-dimethyl-2,5-dihydro-1,5-benzothiazepin-4-one
CID 115098260
8-(aminomethyl)-4-ethyl-3,3-dimethyl-1H-quinoxalin-2-one
CID 115096627
7-[1-(aminomethyl)cyclopropyl]-2,2-dimethyl-4H-1,4-benzothiazin-3-one
CID 116994640
2,2,6,7-tetramethyl-4H-1,4-benzothiazin-3-one
CID 84623973
7-(2-amino-1-hydroxyethyl)-2,2-dimethyl-4H-1,4-benzothiazin-3-one
CID 116994637
8-chlorospiro[4H-1,4-benzothiazine-2,1'-cyclopropane]-3-one
CID 115096866
8-(aminomethyl)-3,4-dihydro-1H-quinazolin-2-one
CID 143550005
8-(aminomethyl)-1-ethyl-3,4-dihydroquinoxalin-2-one
CID 115095930

Frequently Asked Questions

What is the IUPAC name of 8-(aminomethyl)-2,2-dimethyl-4H-1,4-benzothiazin-3-one?
The IUPAC name of 8-(aminomethyl)-2,2-dimethyl-4H-1,4-benzothiazin-3-one (CID 115096446) is 8-(aminomethyl)-2,2-dimethyl-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 8-(aminomethyl)-2,2-dimethyl-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 8-(aminomethyl)-2,2-dimethyl-4H-1,4-benzothiazin-3-one is CC1(C)Sc2c(CN)cccc2NC1=O.
What is the InChIKey of 8-(aminomethyl)-2,2-dimethyl-4H-1,4-benzothiazin-3-one?
The InChIKey is OKZVRQSNLVIHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-11(2)10(14)13-8-5-3-4-7(6-12)9(8)15-11/h3-5H,6,12H2,1-2H3,(H,13,14).
What are the key properties of 8-(aminomethyl)-2,2-dimethyl-4H-1,4-benzothiazin-3-one?
8-(aminomethyl)-2,2-dimethyl-4H-1,4-benzothiazin-3-one has a molecular weight of 222.31 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(aminomethyl)-2,2-dimethyl-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 115096446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).