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

C7H13N3O3S — CID 114398486

IUPAC2-[2-(aminomethyl)morpholin-4-yl]sulfonylacetonitrile
SMILESN#CCS(=O)(=O)N1CCOC(CN)C1
InChIInChI=1S/C7H13N3O3S/c8-1-4-14(11,12)10-2-3-13-7(5-9)6-10/h7H,2-6,9H2
InChIKeyIHVGIWZCPCDEEK-UHFFFAOYSA-N
MW219.27 g/mol
LogP-1.50
Rot. Bonds3

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

2-[2-(aminomethyl)morpholin-4-yl]sulfonylacetonitrile (PubChem CID 114398486) has the molecular formula C7H13N3O3S and a molecular weight of 219.27 g/mol. Its IUPAC name is 2-[2-(aminomethyl)morpholin-4-yl]sulfonylacetonitrile.

Molecular Properties

Compound Name2-[2-(aminomethyl)morpholin-4-yl]sulfonylacetonitrile
PubChem CID114398486
Molecular FormulaC7H13N3O3S
Molecular Weight219.27 g/mol
Exact Mass219.07
IUPAC Name2-[2-(aminomethyl)morpholin-4-yl]sulfonylacetonitrile
SMILESN#CCS(=O)(=O)N1CCOC(CN)C1
InChIInChI=1S/C7H13N3O3S/c8-1-4-14(11,12)10-2-3-13-7(5-9)6-10/h7H,2-6,9H2
InChIKeyIHVGIWZCPCDEEK-UHFFFAOYSA-N
XLogP-1.50
TPSA96.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 5-1.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(cyclopropylmethylsulfonyl)morpholin-2-yl]methanamine
CID 64989827
2-[2-(aminomethyl)morpholin-4-yl]sulfonylpropanenitrile
CID 114398457
(4-cyclobutylsulfonylmorpholin-2-yl)methanamine
CID 152520585
3-[[(2S)-2-(aminomethyl)morpholin-4-yl]sulfonylmethyl]benzonitrile
CID 129394379
2-ethyl-4-ethylsulfonylmorpholine
CID 61356514
[4-(3,5-dichlorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398478
[(2R)-4-(4-chlorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 42252815
3-[2-(aminomethyl)morpholin-4-yl]pentanenitrile
CID 114398825
2-[1-(cyanomethylsulfonyl)pyrrolidin-3-yl]acetonitrile
CID 130871080
[4-(methylsulfonylmethylsulfonyl)morpholin-2-yl]methanol
CID 82843048
[4-[(E)-2-phenylethenyl]sulfonylmorpholin-2-yl]methanamine
CID 114398466
4-(2-hydroxyethylsulfonyl)morpholine-2-carbonitrile
CID 79676246

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)morpholin-4-yl]sulfonylacetonitrile?
The IUPAC name of 2-[2-(aminomethyl)morpholin-4-yl]sulfonylacetonitrile (CID 114398486) is 2-[2-(aminomethyl)morpholin-4-yl]sulfonylacetonitrile.
What is the SMILES notation for 2-[2-(aminomethyl)morpholin-4-yl]sulfonylacetonitrile?
The canonical SMILES for 2-[2-(aminomethyl)morpholin-4-yl]sulfonylacetonitrile is N#CCS(=O)(=O)N1CCOC(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)morpholin-4-yl]sulfonylacetonitrile?
The InChIKey is IHVGIWZCPCDEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3S/c8-1-4-14(11,12)10-2-3-13-7(5-9)6-10/h7H,2-6,9H2.
What are the key properties of 2-[2-(aminomethyl)morpholin-4-yl]sulfonylacetonitrile?
2-[2-(aminomethyl)morpholin-4-yl]sulfonylacetonitrile has a molecular weight of 219.27 g/mol, XLogP of -1.50, 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]sulfonylacetonitrile is sourced from PubChem (CID 114398486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).