N-[2-morpholin-4-yl-1-(4-propylsulfonylphenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine

C21H32N2O3S — CID 67275698

IUPACN-[2-morpholin-4-yl-1-(4-propylsulfonylphenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)C(CN1CCOCC1)c1ccc(S(=O)(=O)CCC)cc1
InChIInChI=1S/C21H32N2O3S/c1-4-11-23(12-5-2)21(18-22-13-15-26-16-14-22)19-7-9-20(10-8-19)27(24,25)17-6-3/h4-5,7-10,21H,1-2,6,11-18H2,3H3
InChIKeyHTCFYDBEKZECAC-UHFFFAOYSA-N
MW392.57 g/mol
LogP2.92
Rot. Bonds11

About N-[2-morpholin-4-yl-1-(4-propylsulfonylphenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine

N-[2-morpholin-4-yl-1-(4-propylsulfonylphenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 67275698) has the molecular formula C21H32N2O3S and a molecular weight of 392.57 g/mol. Its IUPAC name is N-[2-morpholin-4-yl-1-(4-propylsulfonylphenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-morpholin-4-yl-1-(4-propylsulfonylphenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID67275698
Molecular FormulaC21H32N2O3S
Molecular Weight392.57 g/mol
Exact Mass392.21
IUPAC NameN-[2-morpholin-4-yl-1-(4-propylsulfonylphenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)C(CN1CCOCC1)c1ccc(S(=O)(=O)CCC)cc1
InChIInChI=1S/C21H32N2O3S/c1-4-11-23(12-5-2)21(18-22-13-15-26-16-14-22)19-7-9-20(10-8-19)27(24,25)17-6-3/h4-5,7-10,21H,1-2,6,11-18H2,3H3
InChIKeyHTCFYDBEKZECAC-UHFFFAOYSA-N
XLogP2.92
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-morpholin-4-yl-1-(4-propylsulfonylphenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-[2-morpholin-4-yl-1-(4-propylsulfonylphenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine (CID 67275698) is N-[2-morpholin-4-yl-1-(4-propylsulfonylphenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-[2-morpholin-4-yl-1-(4-propylsulfonylphenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-[2-morpholin-4-yl-1-(4-propylsulfonylphenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)C(CN1CCOCC1)c1ccc(S(=O)(=O)CCC)cc1.
What is the InChIKey of N-[2-morpholin-4-yl-1-(4-propylsulfonylphenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is HTCFYDBEKZECAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3S/c1-4-11-23(12-5-2)21(18-22-13-15-26-16-14-22)19-7-9-20(10-8-19)27(24,25)17-6-3/h4-5,7-10,21H,1-2,6,11-18H2,3H3.
What are the key properties of N-[2-morpholin-4-yl-1-(4-propylsulfonylphenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine?
N-[2-morpholin-4-yl-1-(4-propylsulfonylphenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 392.57 g/mol, XLogP of 2.92, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-morpholin-4-yl-1-(4-propylsulfonylphenyl)ethyl]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 67275698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).