2-[6-(3-methoxyphenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-methylethanamine

C13H21N3O3S — CID 84816180

IUPAC2-[6-(3-methoxyphenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-methylethanamine
SMILESCNCCN1CCCN(c2cccc(OC)c2)S1(=O)=O
InChIInChI=1S/C13H21N3O3S/c1-14-7-10-15-8-4-9-16(20(15,17)18)12-5-3-6-13(11-12)19-2/h3,5-6,11,14H,4,7-10H2,1-2H3
InChIKeyZPEKKMNVNOYDHC-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.67
Rot. Bonds5

About 2-[6-(3-methoxyphenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-methylethanamine

2-[6-(3-methoxyphenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-methylethanamine (PubChem CID 84816180) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[6-(3-methoxyphenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[6-(3-methoxyphenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-methylethanamine
PubChem CID84816180
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-[6-(3-methoxyphenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-methylethanamine
SMILESCNCCN1CCCN(c2cccc(OC)c2)S1(=O)=O
InChIInChI=1S/C13H21N3O3S/c1-14-7-10-15-8-4-9-16(20(15,17)18)12-5-3-6-13(11-12)19-2/h3,5-6,11,14H,4,7-10H2,1-2H3
InChIKeyZPEKKMNVNOYDHC-UHFFFAOYSA-N
XLogP0.67
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[6-(3-methoxyphenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-methylethanamine with MolForge

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Related Compounds

N-methyl-3-[6-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]propan-1-amine
CID 84815843
4-[[2-[6-(3-methoxyphenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetyl]amino]adamantane-1-carboxamide
CID 70673636
2-[(4-chlorophenyl)methyl]-6-[(3-methoxyphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
CID 53003763
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 110720933
(2S)-4-[3-(3-methoxyphenyl)-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl]-1-(methylamino)butan-2-ol
CID 46831083
1-(3-methoxyphenyl)azepane
CID 57276431
N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]propan-2-amine
CID 60841668
3-(1,1-dioxothiazinan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 110687859
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
CID 41287996
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(methylamino)propan-2-ol
CID 43187937
N-(2,4-dimethoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7686036
1,3-dimethoxybenzene;ethane;1-methyl-4-phenylpiperazine
CID 171522133

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-methoxyphenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-methylethanamine?
The IUPAC name of 2-[6-(3-methoxyphenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-methylethanamine (CID 84816180) is 2-[6-(3-methoxyphenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[6-(3-methoxyphenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[6-(3-methoxyphenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-methylethanamine is CNCCN1CCCN(c2cccc(OC)c2)S1(=O)=O.
What is the InChIKey of 2-[6-(3-methoxyphenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-methylethanamine?
The InChIKey is ZPEKKMNVNOYDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-14-7-10-15-8-4-9-16(20(15,17)18)12-5-3-6-13(11-12)19-2/h3,5-6,11,14H,4,7-10H2,1-2H3.
What are the key properties of 2-[6-(3-methoxyphenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-methylethanamine?
2-[6-(3-methoxyphenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-methylethanamine has a molecular weight of 299.40 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-methoxyphenyl)-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-methylethanamine is sourced from PubChem (CID 84816180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).