4-(2-hydroxyethylsulfonyl)morpholine-2-carbonitrile

C7H12N2O4S — CID 79676246

IUPAC4-(2-hydroxyethylsulfonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(S(=O)(=O)CCO)CCO1
InChIInChI=1S/C7H12N2O4S/c8-5-7-6-9(1-3-13-7)14(11,12)4-2-10/h7,10H,1-4,6H2
InChIKeyQXCSHMWMLZTAAP-UHFFFAOYSA-N
MW220.25 g/mol
LogP-1.47
Rot. Bonds3

About 4-(2-hydroxyethylsulfonyl)morpholine-2-carbonitrile

4-(2-hydroxyethylsulfonyl)morpholine-2-carbonitrile (PubChem CID 79676246) has the molecular formula C7H12N2O4S and a molecular weight of 220.25 g/mol. Its IUPAC name is 4-(2-hydroxyethylsulfonyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(2-hydroxyethylsulfonyl)morpholine-2-carbonitrile
PubChem CID79676246
Molecular FormulaC7H12N2O4S
Molecular Weight220.25 g/mol
Exact Mass220.05
IUPAC Name4-(2-hydroxyethylsulfonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(S(=O)(=O)CCO)CCO1
InChIInChI=1S/C7H12N2O4S/c8-5-7-6-9(1-3-13-7)14(11,12)4-2-10/h7,10H,1-4,6H2
InChIKeyQXCSHMWMLZTAAP-UHFFFAOYSA-N
XLogP-1.47
TPSA90.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 5-1.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylsulfonyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(2-hydroxyethylsulfonyl)morpholine-2-carbonitrile (CID 79676246) is 4-(2-hydroxyethylsulfonyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(2-hydroxyethylsulfonyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(2-hydroxyethylsulfonyl)morpholine-2-carbonitrile is N#CC1CN(S(=O)(=O)CCO)CCO1.
What is the InChIKey of 4-(2-hydroxyethylsulfonyl)morpholine-2-carbonitrile?
The InChIKey is QXCSHMWMLZTAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4S/c8-5-7-6-9(1-3-13-7)14(11,12)4-2-10/h7,10H,1-4,6H2.
What are the key properties of 4-(2-hydroxyethylsulfonyl)morpholine-2-carbonitrile?
4-(2-hydroxyethylsulfonyl)morpholine-2-carbonitrile has a molecular weight of 220.25 g/mol, XLogP of -1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylsulfonyl)morpholine-2-carbonitrile is sourced from PubChem (CID 79676246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).