2-[2-(aminomethyl)morpholin-4-yl]sulfonylpropanenitrile

C8H15N3O3S — CID 114398457

IUPAC2-[2-(aminomethyl)morpholin-4-yl]sulfonylpropanenitrile
SMILESCC(C#N)S(=O)(=O)N1CCOC(CN)C1
InChIInChI=1S/C8H15N3O3S/c1-7(4-9)15(12,13)11-2-3-14-8(5-10)6-11/h7-8H,2-3,5-6,10H2,1H3
InChIKeyRSDJQFHGLBQEFE-UHFFFAOYSA-N
MW233.29 g/mol
LogP-1.11
Rot. Bonds3

About 2-[2-(aminomethyl)morpholin-4-yl]sulfonylpropanenitrile

2-[2-(aminomethyl)morpholin-4-yl]sulfonylpropanenitrile (PubChem CID 114398457) has the molecular formula C8H15N3O3S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-[2-(aminomethyl)morpholin-4-yl]sulfonylpropanenitrile.

Molecular Properties

Compound Name2-[2-(aminomethyl)morpholin-4-yl]sulfonylpropanenitrile
PubChem CID114398457
Molecular FormulaC8H15N3O3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC Name2-[2-(aminomethyl)morpholin-4-yl]sulfonylpropanenitrile
SMILESCC(C#N)S(=O)(=O)N1CCOC(CN)C1
InChIInChI=1S/C8H15N3O3S/c1-7(4-9)15(12,13)11-2-3-14-8(5-10)6-11/h7-8H,2-3,5-6,10H2,1H3
InChIKeyRSDJQFHGLBQEFE-UHFFFAOYSA-N
XLogP-1.11
TPSA96.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(aminomethyl)morpholin-4-yl]sulfonylpropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(1-aminoethyl)morpholin-4-yl]sulfonylpropanenitrile
CID 115315266
2-[2-(aminomethyl)morpholin-4-yl]sulfonylacetonitrile
CID 114398486
(4-cyclobutylsulfonylmorpholin-2-yl)methanamine
CID 152520585
[4-(cyclopropylmethylsulfonyl)morpholin-2-yl]methanamine
CID 64989827
2-[4-(1-cyanopropylsulfonyl)morpholin-2-yl]acetic acid
CID 66433232
methyl 2-(4-propan-2-ylsulfonylmorpholin-2-yl)acetate
CID 79769803
3-[[(2S)-2-(aminomethyl)morpholin-4-yl]sulfonylmethyl]benzonitrile
CID 129394379
[(2R)-4-(3-methylphenyl)sulfonylmorpholin-2-yl]methanamine
CID 42252952
[(2R)-4-(4-chlorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 42252815
3-[2-(aminomethyl)morpholin-4-yl]pentanenitrile
CID 114398825
[4-(2-propan-2-ylsulfonylethyl)morpholin-2-yl]methanamine
CID 104920922
[4-(2,5-dimethoxyphenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398431

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)morpholin-4-yl]sulfonylpropanenitrile?
The IUPAC name of 2-[2-(aminomethyl)morpholin-4-yl]sulfonylpropanenitrile (CID 114398457) is 2-[2-(aminomethyl)morpholin-4-yl]sulfonylpropanenitrile.
What is the SMILES notation for 2-[2-(aminomethyl)morpholin-4-yl]sulfonylpropanenitrile?
The canonical SMILES for 2-[2-(aminomethyl)morpholin-4-yl]sulfonylpropanenitrile is CC(C#N)S(=O)(=O)N1CCOC(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)morpholin-4-yl]sulfonylpropanenitrile?
The InChIKey is RSDJQFHGLBQEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S/c1-7(4-9)15(12,13)11-2-3-14-8(5-10)6-11/h7-8H,2-3,5-6,10H2,1H3.
What are the key properties of 2-[2-(aminomethyl)morpholin-4-yl]sulfonylpropanenitrile?
2-[2-(aminomethyl)morpholin-4-yl]sulfonylpropanenitrile has a molecular weight of 233.29 g/mol, XLogP of -1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)morpholin-4-yl]sulfonylpropanenitrile is sourced from PubChem (CID 114398457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).