1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylmorpholin-2-yl]ethanamine

C12H25N3O4S — CID 115315408

IUPAC1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylmorpholin-2-yl]ethanamine
SMILESCC1CN(S(=O)(=O)N2CCOC(C(C)N)C2)CC(C)O1
InChIInChI=1S/C12H25N3O4S/c1-9-6-15(7-10(2)19-9)20(16,17)14-4-5-18-12(8-14)11(3)13/h9-12H,4-8,13H2,1-3H3
InChIKeyRAAKYHAIAQUCQP-UHFFFAOYSA-N
MW307.42 g/mol
LogP-0.61
Rot. Bonds3

About 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylmorpholin-2-yl]ethanamine

1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylmorpholin-2-yl]ethanamine (PubChem CID 115315408) has the molecular formula C12H25N3O4S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylmorpholin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylmorpholin-2-yl]ethanamine
PubChem CID115315408
Molecular FormulaC12H25N3O4S
Molecular Weight307.42 g/mol
Exact Mass307.16
IUPAC Name1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylmorpholin-2-yl]ethanamine
SMILESCC1CN(S(=O)(=O)N2CCOC(C(C)N)C2)CC(C)O1
InChIInChI=1S/C12H25N3O4S/c1-9-6-15(7-10(2)19-9)20(16,17)14-4-5-18-12(8-14)11(3)13/h9-12H,4-8,13H2,1-3H3
InChIKeyRAAKYHAIAQUCQP-UHFFFAOYSA-N
XLogP-0.61
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-piperidin-1-ylsulfonylmorpholin-2-yl)ethanamine
CID 113285038
2-[2-(1-aminoethyl)morpholin-4-yl]sulfonylpropanenitrile
CID 115315266
2-(1-aminoethyl)-N-cyclopropylmorpholine-4-sulfonamide
CID 114811287
2-(1-aminoethyl)-N-(2-methylpropyl)morpholine-4-sulfonamide
CID 114816233
(3R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpyrrolidin-3-amine
CID 124572808
(2S)-4-[[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]sulfonyl]-2-methylmorpholine
CID 97024717
2-(1-aminoethyl)-N-cyclohexyl-N-methylmorpholine-4-sulfonamide
CID 115315403
1-[4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholin-2-yl]ethanamine
CID 115315246
2-(1-aminoethyl)-N-(2-methoxyethyl)morpholine-4-sulfonamide
CID 114816234
(3S,4R)-1-(2,6-dimethylmorpholin-4-yl)sulfonylpyrrolidine-3,4-diol
CID 79410684
(1R)-1-[(2R)-4-(4,5-dimethylthiophen-2-yl)sulfonylmorpholin-2-yl]ethanamine
CID 99852857
2-methyl-4-propan-2-ylsulfonylmorpholine
CID 61355181

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylmorpholin-2-yl]ethanamine?
The IUPAC name of 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylmorpholin-2-yl]ethanamine (CID 115315408) is 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylmorpholin-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylmorpholin-2-yl]ethanamine?
The canonical SMILES for 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylmorpholin-2-yl]ethanamine is CC1CN(S(=O)(=O)N2CCOC(C(C)N)C2)CC(C)O1.
What is the InChIKey of 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylmorpholin-2-yl]ethanamine?
The InChIKey is RAAKYHAIAQUCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4S/c1-9-6-15(7-10(2)19-9)20(16,17)14-4-5-18-12(8-14)11(3)13/h9-12H,4-8,13H2,1-3H3.
What are the key properties of 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylmorpholin-2-yl]ethanamine?
1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylmorpholin-2-yl]ethanamine has a molecular weight of 307.42 g/mol, XLogP of -0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylmorpholin-2-yl]ethanamine is sourced from PubChem (CID 115315408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).