3-ethyl-4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)morpholine

C15H22N2O3S — CID 43613589

IUPAC3-ethyl-4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)morpholine
SMILESCCC1COCCN1S(=O)(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C15H22N2O3S/c1-2-13-11-20-9-8-17(13)21(18,19)14-5-6-15-12(10-14)4-3-7-16-15/h5-6,10,13,16H,2-4,7-9,11H2,1H3
InChIKeyCXENFNNKJLCJTM-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.84
Rot. Bonds3

About 3-ethyl-4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)morpholine

3-ethyl-4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)morpholine (PubChem CID 43613589) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-ethyl-4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)morpholine.

Molecular Properties

Compound Name3-ethyl-4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)morpholine
PubChem CID43613589
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name3-ethyl-4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)morpholine
SMILESCCC1COCCN1S(=O)(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C15H22N2O3S/c1-2-13-11-20-9-8-17(13)21(18,19)14-5-6-15-12(10-14)4-3-7-16-15/h5-6,10,13,16H,2-4,7-9,11H2,1H3
InChIKeyCXENFNNKJLCJTM-UHFFFAOYSA-N
XLogP1.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)morpholine?
The IUPAC name of 3-ethyl-4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)morpholine (CID 43613589) is 3-ethyl-4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)morpholine.
What is the SMILES notation for 3-ethyl-4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)morpholine?
The canonical SMILES for 3-ethyl-4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)morpholine is CCC1COCCN1S(=O)(=O)c1ccc2c(c1)CCCN2.
What is the InChIKey of 3-ethyl-4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)morpholine?
The InChIKey is CXENFNNKJLCJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-2-13-11-20-9-8-17(13)21(18,19)14-5-6-15-12(10-14)4-3-7-16-15/h5-6,10,13,16H,2-4,7-9,11H2,1H3.
What are the key properties of 3-ethyl-4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)morpholine?
3-ethyl-4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)morpholine has a molecular weight of 310.42 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)morpholine is sourced from PubChem (CID 43613589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).