2-[2-(1-aminoethyl)morpholin-4-yl]sulfonylpropanenitrile

C9H17N3O3S — CID 115315266

IUPAC2-[2-(1-aminoethyl)morpholin-4-yl]sulfonylpropanenitrile
SMILESCC(N)C1CN(S(=O)(=O)C(C)C#N)CCO1
InChIInChI=1S/C9H17N3O3S/c1-7(5-10)16(13,14)12-3-4-15-9(6-12)8(2)11/h7-9H,3-4,6,11H2,1-2H3
InChIKeyQCRKXPJTQAUPBJ-UHFFFAOYSA-N
MW247.32 g/mol
LogP-0.72
Rot. Bonds3

About 2-[2-(1-aminoethyl)morpholin-4-yl]sulfonylpropanenitrile

2-[2-(1-aminoethyl)morpholin-4-yl]sulfonylpropanenitrile (PubChem CID 115315266) has the molecular formula C9H17N3O3S and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)morpholin-4-yl]sulfonylpropanenitrile.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)morpholin-4-yl]sulfonylpropanenitrile
PubChem CID115315266
Molecular FormulaC9H17N3O3S
Molecular Weight247.32 g/mol
Exact Mass247.10
IUPAC Name2-[2-(1-aminoethyl)morpholin-4-yl]sulfonylpropanenitrile
SMILESCC(N)C1CN(S(=O)(=O)C(C)C#N)CCO1
InChIInChI=1S/C9H17N3O3S/c1-7(5-10)16(13,14)12-3-4-15-9(6-12)8(2)11/h7-9H,3-4,6,11H2,1-2H3
InChIKeyQCRKXPJTQAUPBJ-UHFFFAOYSA-N
XLogP-0.72
TPSA96.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(aminomethyl)morpholin-4-yl]sulfonylpropanenitrile
CID 114398457
1-(4-piperidin-1-ylsulfonylmorpholin-2-yl)ethanamine
CID 113285038
2-[4-[2-(1-aminoethyl)morpholin-4-yl]sulfonylphenyl]acetonitrile
CID 115315299
2-(1-aminoethyl)-N-cyclopropylmorpholine-4-sulfonamide
CID 114811287
1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylmorpholin-2-yl]ethanamine
CID 115315408
2-[2-(1-aminoethyl)morpholin-4-yl]propanenitrile
CID 115315413
2-(1-aminoethyl)-N-(2-methylpropyl)morpholine-4-sulfonamide
CID 114816233
2-(1-aminoethyl)-N-(2-methoxyethyl)morpholine-4-sulfonamide
CID 114816234
2-(1-aminoethyl)-N-cyclohexyl-N-methylmorpholine-4-sulfonamide
CID 115315403
methyl 4-[2-(1-aminoethyl)morpholin-4-yl]sulfonylbutanoate
CID 115315305
1-[4-(2-bromo-4-methylphenyl)sulfonylmorpholin-2-yl]ethanamine
CID 115315337
2-[2-(1-aminoethyl)morpholin-4-yl]benzonitrile
CID 113285117

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)morpholin-4-yl]sulfonylpropanenitrile?
The IUPAC name of 2-[2-(1-aminoethyl)morpholin-4-yl]sulfonylpropanenitrile (CID 115315266) is 2-[2-(1-aminoethyl)morpholin-4-yl]sulfonylpropanenitrile.
What is the SMILES notation for 2-[2-(1-aminoethyl)morpholin-4-yl]sulfonylpropanenitrile?
The canonical SMILES for 2-[2-(1-aminoethyl)morpholin-4-yl]sulfonylpropanenitrile is CC(N)C1CN(S(=O)(=O)C(C)C#N)CCO1.
What is the InChIKey of 2-[2-(1-aminoethyl)morpholin-4-yl]sulfonylpropanenitrile?
The InChIKey is QCRKXPJTQAUPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S/c1-7(5-10)16(13,14)12-3-4-15-9(6-12)8(2)11/h7-9H,3-4,6,11H2,1-2H3.
What are the key properties of 2-[2-(1-aminoethyl)morpholin-4-yl]sulfonylpropanenitrile?
2-[2-(1-aminoethyl)morpholin-4-yl]sulfonylpropanenitrile has a molecular weight of 247.32 g/mol, XLogP of -0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)morpholin-4-yl]sulfonylpropanenitrile is sourced from PubChem (CID 115315266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).