1-[4-(5-ethyl-2-methylmorpholin-4-yl)sulfonylphenyl]ethanamine

C15H24N2O3S — CID 61424752

IUPAC1-[4-(5-ethyl-2-methylmorpholin-4-yl)sulfonylphenyl]ethanamine
SMILESCCC1COC(C)CN1S(=O)(=O)c1ccc(C(C)N)cc1
InChIInChI=1S/C15H24N2O3S/c1-4-14-10-20-11(2)9-17(14)21(18,19)15-7-5-13(6-8-15)12(3)16/h5-8,11-12,14H,4,9-10,16H2,1-3H3
InChIKeyHNIMQCROBRSLGQ-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.89
Rot. Bonds4

About 1-[4-(5-ethyl-2-methylmorpholin-4-yl)sulfonylphenyl]ethanamine

1-[4-(5-ethyl-2-methylmorpholin-4-yl)sulfonylphenyl]ethanamine (PubChem CID 61424752) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-[4-(5-ethyl-2-methylmorpholin-4-yl)sulfonylphenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(5-ethyl-2-methylmorpholin-4-yl)sulfonylphenyl]ethanamine
PubChem CID61424752
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name1-[4-(5-ethyl-2-methylmorpholin-4-yl)sulfonylphenyl]ethanamine
SMILESCCC1COC(C)CN1S(=O)(=O)c1ccc(C(C)N)cc1
InChIInChI=1S/C15H24N2O3S/c1-4-14-10-20-11(2)9-17(14)21(18,19)15-7-5-13(6-8-15)12(3)16/h5-8,11-12,14H,4,9-10,16H2,1-3H3
InChIKeyHNIMQCROBRSLGQ-UHFFFAOYSA-N
XLogP1.89
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-ethyl-2-methylmorpholin-4-yl)sulfonylphenyl]ethanamine?
The IUPAC name of 1-[4-(5-ethyl-2-methylmorpholin-4-yl)sulfonylphenyl]ethanamine (CID 61424752) is 1-[4-(5-ethyl-2-methylmorpholin-4-yl)sulfonylphenyl]ethanamine.
What is the SMILES notation for 1-[4-(5-ethyl-2-methylmorpholin-4-yl)sulfonylphenyl]ethanamine?
The canonical SMILES for 1-[4-(5-ethyl-2-methylmorpholin-4-yl)sulfonylphenyl]ethanamine is CCC1COC(C)CN1S(=O)(=O)c1ccc(C(C)N)cc1.
What is the InChIKey of 1-[4-(5-ethyl-2-methylmorpholin-4-yl)sulfonylphenyl]ethanamine?
The InChIKey is HNIMQCROBRSLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-14-10-20-11(2)9-17(14)21(18,19)15-7-5-13(6-8-15)12(3)16/h5-8,11-12,14H,4,9-10,16H2,1-3H3.
What are the key properties of 1-[4-(5-ethyl-2-methylmorpholin-4-yl)sulfonylphenyl]ethanamine?
1-[4-(5-ethyl-2-methylmorpholin-4-yl)sulfonylphenyl]ethanamine has a molecular weight of 312.44 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-ethyl-2-methylmorpholin-4-yl)sulfonylphenyl]ethanamine is sourced from PubChem (CID 61424752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).