4-(2-ethenylsulfonylethyl)-3-(2-methyl-1,2,4-triazol-3-yl)morpholine

C11H18N4O3S — CID 138051010

IUPAC4-(2-ethenylsulfonylethyl)-3-(2-methyl-1,2,4-triazol-3-yl)morpholine
SMILESC=CS(=O)(=O)CCN1CCOCC1c1ncnn1C
InChIInChI=1S/C11H18N4O3S/c1-3-19(16,17)7-5-15-4-6-18-8-10(15)11-12-9-13-14(11)2/h3,9-10H,1,4-8H2,2H3
InChIKeyIFKFLPNBLYMLAY-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.25
Rot. Bonds5

About 4-(2-ethenylsulfonylethyl)-3-(2-methyl-1,2,4-triazol-3-yl)morpholine

4-(2-ethenylsulfonylethyl)-3-(2-methyl-1,2,4-triazol-3-yl)morpholine (PubChem CID 138051010) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 4-(2-ethenylsulfonylethyl)-3-(2-methyl-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name4-(2-ethenylsulfonylethyl)-3-(2-methyl-1,2,4-triazol-3-yl)morpholine
PubChem CID138051010
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name4-(2-ethenylsulfonylethyl)-3-(2-methyl-1,2,4-triazol-3-yl)morpholine
SMILESC=CS(=O)(=O)CCN1CCOCC1c1ncnn1C
InChIInChI=1S/C11H18N4O3S/c1-3-19(16,17)7-5-15-4-6-18-8-10(15)11-12-9-13-14(11)2/h3,9-10H,1,4-8H2,2H3
InChIKeyIFKFLPNBLYMLAY-UHFFFAOYSA-N
XLogP-0.25
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethenylsulfonylethyl)-3-(2-methyl-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of 4-(2-ethenylsulfonylethyl)-3-(2-methyl-1,2,4-triazol-3-yl)morpholine (CID 138051010) is 4-(2-ethenylsulfonylethyl)-3-(2-methyl-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for 4-(2-ethenylsulfonylethyl)-3-(2-methyl-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for 4-(2-ethenylsulfonylethyl)-3-(2-methyl-1,2,4-triazol-3-yl)morpholine is C=CS(=O)(=O)CCN1CCOCC1c1ncnn1C.
What is the InChIKey of 4-(2-ethenylsulfonylethyl)-3-(2-methyl-1,2,4-triazol-3-yl)morpholine?
The InChIKey is IFKFLPNBLYMLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-3-19(16,17)7-5-15-4-6-18-8-10(15)11-12-9-13-14(11)2/h3,9-10H,1,4-8H2,2H3.
What are the key properties of 4-(2-ethenylsulfonylethyl)-3-(2-methyl-1,2,4-triazol-3-yl)morpholine?
4-(2-ethenylsulfonylethyl)-3-(2-methyl-1,2,4-triazol-3-yl)morpholine has a molecular weight of 286.36 g/mol, XLogP of -0.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethenylsulfonylethyl)-3-(2-methyl-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 138051010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).