1-(4-piperidin-1-ylsulfonylmorpholin-2-yl)ethanamine

C11H23N3O3S — CID 113285038

IUPAC1-(4-piperidin-1-ylsulfonylmorpholin-2-yl)ethanamine
SMILESCC(N)C1CN(S(=O)(=O)N2CCCCC2)CCO1
InChIInChI=1S/C11H23N3O3S/c1-10(12)11-9-14(7-8-17-11)18(15,16)13-5-3-2-4-6-13/h10-11H,2-9,12H2,1H3
InChIKeyLJNKMRHUWOJZCH-UHFFFAOYSA-N
MW277.39 g/mol
LogP-0.23
Rot. Bonds3

About 1-(4-piperidin-1-ylsulfonylmorpholin-2-yl)ethanamine

1-(4-piperidin-1-ylsulfonylmorpholin-2-yl)ethanamine (PubChem CID 113285038) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(4-piperidin-1-ylsulfonylmorpholin-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-piperidin-1-ylsulfonylmorpholin-2-yl)ethanamine
PubChem CID113285038
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name1-(4-piperidin-1-ylsulfonylmorpholin-2-yl)ethanamine
SMILESCC(N)C1CN(S(=O)(=O)N2CCCCC2)CCO1
InChIInChI=1S/C11H23N3O3S/c1-10(12)11-9-14(7-8-17-11)18(15,16)13-5-3-2-4-6-13/h10-11H,2-9,12H2,1H3
InChIKeyLJNKMRHUWOJZCH-UHFFFAOYSA-N
XLogP-0.23
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-1-ylsulfonylmorpholin-2-yl)ethanamine?
The IUPAC name of 1-(4-piperidin-1-ylsulfonylmorpholin-2-yl)ethanamine (CID 113285038) is 1-(4-piperidin-1-ylsulfonylmorpholin-2-yl)ethanamine.
What is the SMILES notation for 1-(4-piperidin-1-ylsulfonylmorpholin-2-yl)ethanamine?
The canonical SMILES for 1-(4-piperidin-1-ylsulfonylmorpholin-2-yl)ethanamine is CC(N)C1CN(S(=O)(=O)N2CCCCC2)CCO1.
What is the InChIKey of 1-(4-piperidin-1-ylsulfonylmorpholin-2-yl)ethanamine?
The InChIKey is LJNKMRHUWOJZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-10(12)11-9-14(7-8-17-11)18(15,16)13-5-3-2-4-6-13/h10-11H,2-9,12H2,1H3.
What are the key properties of 1-(4-piperidin-1-ylsulfonylmorpholin-2-yl)ethanamine?
1-(4-piperidin-1-ylsulfonylmorpholin-2-yl)ethanamine has a molecular weight of 277.39 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-1-ylsulfonylmorpholin-2-yl)ethanamine is sourced from PubChem (CID 113285038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).