[4-(2,5-dimethoxyphenyl)sulfonylmorpholin-2-yl]methanamine

C13H20N2O5S — CID 114398431

IUPAC[4-(2,5-dimethoxyphenyl)sulfonylmorpholin-2-yl]methanamine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCOC(CN)C2)c1
InChIInChI=1S/C13H20N2O5S/c1-18-10-3-4-12(19-2)13(7-10)21(16,17)15-5-6-20-11(8-14)9-15/h3-4,7,11H,5-6,8-9,14H2,1-2H3
InChIKeyOTMGPCAMBQGOMQ-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.05
Rot. Bonds5

About [4-(2,5-dimethoxyphenyl)sulfonylmorpholin-2-yl]methanamine

[4-(2,5-dimethoxyphenyl)sulfonylmorpholin-2-yl]methanamine (PubChem CID 114398431) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is [4-(2,5-dimethoxyphenyl)sulfonylmorpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(2,5-dimethoxyphenyl)sulfonylmorpholin-2-yl]methanamine
PubChem CID114398431
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name[4-(2,5-dimethoxyphenyl)sulfonylmorpholin-2-yl]methanamine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCOC(CN)C2)c1
InChIInChI=1S/C13H20N2O5S/c1-18-10-3-4-12(19-2)13(7-10)21(16,17)15-5-6-20-11(8-14)9-15/h3-4,7,11H,5-6,8-9,14H2,1-2H3
InChIKeyOTMGPCAMBQGOMQ-UHFFFAOYSA-N
XLogP0.05
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3-chloro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398495
4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-ethylphenyl)morpholine
CID 110364059
4-(2,5-dimethoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine
CID 110326792
4-(2,5-dimethoxyphenyl)sulfonyl-1,4-oxazepane
CID 4987826
(3S,4R)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410107
3-(2,5-dimethoxyphenyl)sulfonyl-1,3-oxazinane
CID 110739698
[4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]methanamine
CID 61339337
1-(2,5-dimethoxyphenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62534672
[(2R)-4-(3-methylphenyl)sulfonylmorpholin-2-yl]methanamine
CID 42252952
1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 709843
1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
CID 19684880
[4-(2,3-dichlorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398436

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethoxyphenyl)sulfonylmorpholin-2-yl]methanamine?
The IUPAC name of [4-(2,5-dimethoxyphenyl)sulfonylmorpholin-2-yl]methanamine (CID 114398431) is [4-(2,5-dimethoxyphenyl)sulfonylmorpholin-2-yl]methanamine.
What is the SMILES notation for [4-(2,5-dimethoxyphenyl)sulfonylmorpholin-2-yl]methanamine?
The canonical SMILES for [4-(2,5-dimethoxyphenyl)sulfonylmorpholin-2-yl]methanamine is COc1ccc(OC)c(S(=O)(=O)N2CCOC(CN)C2)c1.
What is the InChIKey of [4-(2,5-dimethoxyphenyl)sulfonylmorpholin-2-yl]methanamine?
The InChIKey is OTMGPCAMBQGOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-18-10-3-4-12(19-2)13(7-10)21(16,17)15-5-6-20-11(8-14)9-15/h3-4,7,11H,5-6,8-9,14H2,1-2H3.
What are the key properties of [4-(2,5-dimethoxyphenyl)sulfonylmorpholin-2-yl]methanamine?
[4-(2,5-dimethoxyphenyl)sulfonylmorpholin-2-yl]methanamine has a molecular weight of 316.38 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethoxyphenyl)sulfonylmorpholin-2-yl]methanamine is sourced from PubChem (CID 114398431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).