[2-fluoro-6-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanamine

C12H17FN2O4S2 — CID 102883116

IUPAC[2-fluoro-6-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanamine
SMILESCC1CS(=O)(=O)CCN1S(=O)(=O)c1cccc(F)c1CN
InChIInChI=1S/C12H17FN2O4S2/c1-9-8-20(16,17)6-5-15(9)21(18,19)12-4-2-3-11(13)10(12)7-14/h2-4,9H,5-8,14H2,1H3
InChIKeyNDLXXEMOHYXANR-UHFFFAOYSA-N
MW336.41 g/mol
LogP0.09
Rot. Bonds3

About [2-fluoro-6-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanamine

[2-fluoro-6-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanamine (PubChem CID 102883116) has the molecular formula C12H17FN2O4S2 and a molecular weight of 336.41 g/mol. Its IUPAC name is [2-fluoro-6-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-6-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanamine
PubChem CID102883116
Molecular FormulaC12H17FN2O4S2
Molecular Weight336.41 g/mol
Exact Mass336.06
IUPAC Name[2-fluoro-6-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanamine
SMILESCC1CS(=O)(=O)CCN1S(=O)(=O)c1cccc(F)c1CN
InChIInChI=1S/C12H17FN2O4S2/c1-9-8-20(16,17)6-5-15(9)21(18,19)12-4-2-3-11(13)10(12)7-14/h2-4,9H,5-8,14H2,1H3
InChIKeyNDLXXEMOHYXANR-UHFFFAOYSA-N
XLogP0.09
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-fluoro-6-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanamine with MolForge

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Related Compounds

2-fluoro-6-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]benzonitrile
CID 103835705
[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)-6-fluorophenyl]methanamine
CID 65319473
[2-fluoro-6-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 83052838
[2-fluoro-6-(4-propan-2-ylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 103495203
5-methoxy-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline
CID 102882388
4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-1-propylpyrazol-3-amine
CID 102882361
1-[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]ethanamine
CID 102884344
5-bromo-2-methyl-3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline
CID 102882366
4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]benzenecarbothioamide
CID 102883472
4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonylmethyl]aniline
CID 102882331
2-(aminomethyl)-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79078860
2-methoxy-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline
CID 102882311

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanamine?
The IUPAC name of [2-fluoro-6-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanamine (CID 102883116) is [2-fluoro-6-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanamine.
What is the SMILES notation for [2-fluoro-6-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanamine?
The canonical SMILES for [2-fluoro-6-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanamine is CC1CS(=O)(=O)CCN1S(=O)(=O)c1cccc(F)c1CN.
What is the InChIKey of [2-fluoro-6-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanamine?
The InChIKey is NDLXXEMOHYXANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O4S2/c1-9-8-20(16,17)6-5-15(9)21(18,19)12-4-2-3-11(13)10(12)7-14/h2-4,9H,5-8,14H2,1H3.
What are the key properties of [2-fluoro-6-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanamine?
[2-fluoro-6-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanamine has a molecular weight of 336.41 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanamine is sourced from PubChem (CID 102883116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).