[4-(2,5-dimethylphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanamine

C15H24N2O3S — CID 114782154

IUPAC[4-(2,5-dimethylphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanamine
SMILESCc1ccc(C)c(S(=O)(=O)N2CC(CN)OC(C)(C)C2)c1
InChIInChI=1S/C15H24N2O3S/c1-11-5-6-12(2)14(7-11)21(18,19)17-9-13(8-16)20-15(3,4)10-17/h5-7,13H,8-10,16H2,1-4H3
InChIKeyQCTDLMBJGLAVBX-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.43
Rot. Bonds3

About [4-(2,5-dimethylphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanamine

[4-(2,5-dimethylphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanamine (PubChem CID 114782154) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is [4-(2,5-dimethylphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(2,5-dimethylphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanamine
PubChem CID114782154
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name[4-(2,5-dimethylphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanamine
SMILESCc1ccc(C)c(S(=O)(=O)N2CC(CN)OC(C)(C)C2)c1
InChIInChI=1S/C15H24N2O3S/c1-11-5-6-12(2)14(7-11)21(18,19)17-9-13(8-16)20-15(3,4)10-17/h5-7,13H,8-10,16H2,1-4H3
InChIKeyQCTDLMBJGLAVBX-UHFFFAOYSA-N
XLogP1.43
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,4-dimethylphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanamine
CID 114782183
[4-(5-chloro-2-methylphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
CID 114779155
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,5-dimethylphenyl)methanone
CID 114782044
(3S,4R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidine-3,4-diol
CID 71683265
(2S,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7510214
(2R,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7510211
(4-cyclohexylsulfonyl-6,6-dimethylmorpholin-2-yl)methanamine
CID 114782156
4-(4-bromo-2-fluorophenyl)sulfonyl-6-(bromomethyl)-2,2-dimethylmorpholine
CID 114781861
6-(chloromethyl)-4-(2-chlorophenyl)sulfonyl-2,2-dimethylmorpholine
CID 114781760
(3R,4S)-1-(2,5-dimethylphenyl)sulfonyl-4-propylpyrrolidin-3-amine
CID 72845583
[4-(5-bromo-2-methylthiophen-3-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
CID 114779094
[4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]methanamine
CID 61339337

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanamine?
The IUPAC name of [4-(2,5-dimethylphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanamine (CID 114782154) is [4-(2,5-dimethylphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanamine.
What is the SMILES notation for [4-(2,5-dimethylphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanamine?
The canonical SMILES for [4-(2,5-dimethylphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanamine is Cc1ccc(C)c(S(=O)(=O)N2CC(CN)OC(C)(C)C2)c1.
What is the InChIKey of [4-(2,5-dimethylphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanamine?
The InChIKey is QCTDLMBJGLAVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11-5-6-12(2)14(7-11)21(18,19)17-9-13(8-16)20-15(3,4)10-17/h5-7,13H,8-10,16H2,1-4H3.
What are the key properties of [4-(2,5-dimethylphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanamine?
[4-(2,5-dimethylphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanamine has a molecular weight of 312.44 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanamine is sourced from PubChem (CID 114782154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).