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

C11H15FN2O2S — CID 84637031

IUPAC(7-fluoro-3,4-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanamine
SMILESCC1C(CN)S(=O)(=O)c2cc(F)ccc2N1C
InChIInChI=1S/C11H15FN2O2S/c1-7-11(6-13)17(15,16)10-5-8(12)3-4-9(10)14(7)2/h3-5,7,11H,6,13H2,1-2H3
InChIKeyNDVBQIPVXYMFTF-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.76
Rot. Bonds1

About (7-fluoro-3,4-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanamine

(7-fluoro-3,4-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanamine (PubChem CID 84637031) has the molecular formula C11H15FN2O2S and a molecular weight of 258.32 g/mol. Its IUPAC name is (7-fluoro-3,4-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanamine.

Molecular Properties

Compound Name(7-fluoro-3,4-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanamine
PubChem CID84637031
Molecular FormulaC11H15FN2O2S
Molecular Weight258.32 g/mol
Exact Mass258.08
IUPAC Name(7-fluoro-3,4-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanamine
SMILESCC1C(CN)S(=O)(=O)c2cc(F)ccc2N1C
InChIInChI=1S/C11H15FN2O2S/c1-7-11(6-13)17(15,16)10-5-8(12)3-4-9(10)14(7)2/h3-5,7,11H,6,13H2,1-2H3
InChIKeyNDVBQIPVXYMFTF-UHFFFAOYSA-N
XLogP0.76
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (7-fluoro-3,4-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanamine with MolForge

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Related Compounds

7-fluoro-4-methyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-3-carboxylic acid
CID 84637578
3,4,7-trimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-2-carbonitrile
CID 84633779
7-fluoro-2,3,4-trimethyl-2,3-dihydro-1H-quinoxaline
CID 84619291
(3S)-3-(aminomethyl)-6-fluoro-2-methyl-3H-isoindol-1-one
CID 125454965
(2S,3R)-2-ethyl-6-fluoro-1,3-dimethyl-3,4-dihydro-2H-quinoline
CID 139326429
4-(cyclopropylmethyl)-7-fluoro-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 67529774
1-(7-fluoro-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)propan-2-amine
CID 84637028
[(3S,4S)-4-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 124675425
6-fluoro-2,3-dimethyl-1,2-dihydrobenzimidazole
CID 143791646
7-fluoro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine-2-carbonitrile
CID 84624102
(5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 83861224
1-[(2S,3R)-6-fluoro-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325834

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-3,4-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanamine?
The IUPAC name of (7-fluoro-3,4-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanamine (CID 84637031) is (7-fluoro-3,4-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanamine.
What is the SMILES notation for (7-fluoro-3,4-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanamine?
The canonical SMILES for (7-fluoro-3,4-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanamine is CC1C(CN)S(=O)(=O)c2cc(F)ccc2N1C.
What is the InChIKey of (7-fluoro-3,4-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanamine?
The InChIKey is NDVBQIPVXYMFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S/c1-7-11(6-13)17(15,16)10-5-8(12)3-4-9(10)14(7)2/h3-5,7,11H,6,13H2,1-2H3.
What are the key properties of (7-fluoro-3,4-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanamine?
(7-fluoro-3,4-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanamine has a molecular weight of 258.32 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-3,4-dimethyl-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-2-yl)methanamine is sourced from PubChem (CID 84637031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).