2-(1,3-benzodioxol-5-yl)-N-(ethylsulfamoyl)-2-morpholin-4-ylethanamine

C15H23N3O5S — CID 110626613

IUPAC2-(1,3-benzodioxol-5-yl)-N-(ethylsulfamoyl)-2-morpholin-4-ylethanamine
SMILESCCNS(=O)(=O)NCC(c1ccc2c(c1)OCO2)N1CCOCC1
InChIInChI=1S/C15H23N3O5S/c1-2-16-24(19,20)17-10-13(18-5-7-21-8-6-18)12-3-4-14-15(9-12)23-11-22-14/h3-4,9,13,16-17H,2,5-8,10-11H2,1H3
InChIKeySZWSXAXDFQSEEV-UHFFFAOYSA-N
MW357.43 g/mol
LogP0.23
Rot. Bonds7

About 2-(1,3-benzodioxol-5-yl)-N-(ethylsulfamoyl)-2-morpholin-4-ylethanamine

2-(1,3-benzodioxol-5-yl)-N-(ethylsulfamoyl)-2-morpholin-4-ylethanamine (PubChem CID 110626613) has the molecular formula C15H23N3O5S and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-(ethylsulfamoyl)-2-morpholin-4-ylethanamine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-(ethylsulfamoyl)-2-morpholin-4-ylethanamine
PubChem CID110626613
Molecular FormulaC15H23N3O5S
Molecular Weight357.43 g/mol
Exact Mass357.14
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-(ethylsulfamoyl)-2-morpholin-4-ylethanamine
SMILESCCNS(=O)(=O)NCC(c1ccc2c(c1)OCO2)N1CCOCC1
InChIInChI=1S/C15H23N3O5S/c1-2-16-24(19,20)17-10-13(18-5-7-21-8-6-18)12-3-4-14-15(9-12)23-11-22-14/h3-4,9,13,16-17H,2,5-8,10-11H2,1H3
InChIKeySZWSXAXDFQSEEV-UHFFFAOYSA-N
XLogP0.23
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2,4,6-trimethylbenzenesulfonamide
CID 16810191
N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 52985984
N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]pentanamide
CID 110287527
N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2-phenylethanesulfonamide;hydrochloride
CID 52985988
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 7285809
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-3,3-dimethylbutanamide
CID 7285774
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 30673567
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 30673568
N-(ethylsulfamoyl)-2-morpholin-4-yl-2-pyridin-3-ylethanamine
CID 110623720
3-(1,3-benzodioxol-5-yl)-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 54765503
N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2-(4-chlorophenyl)acetamide
CID 22583873
phenyl N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]carbamate
CID 18574642

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(ethylsulfamoyl)-2-morpholin-4-ylethanamine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(ethylsulfamoyl)-2-morpholin-4-ylethanamine (CID 110626613) is 2-(1,3-benzodioxol-5-yl)-N-(ethylsulfamoyl)-2-morpholin-4-ylethanamine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-(ethylsulfamoyl)-2-morpholin-4-ylethanamine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-(ethylsulfamoyl)-2-morpholin-4-ylethanamine is CCNS(=O)(=O)NCC(c1ccc2c(c1)OCO2)N1CCOCC1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-(ethylsulfamoyl)-2-morpholin-4-ylethanamine?
The InChIKey is SZWSXAXDFQSEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5S/c1-2-16-24(19,20)17-10-13(18-5-7-21-8-6-18)12-3-4-14-15(9-12)23-11-22-14/h3-4,9,13,16-17H,2,5-8,10-11H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-(ethylsulfamoyl)-2-morpholin-4-ylethanamine?
2-(1,3-benzodioxol-5-yl)-N-(ethylsulfamoyl)-2-morpholin-4-ylethanamine has a molecular weight of 357.43 g/mol, XLogP of 0.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-(ethylsulfamoyl)-2-morpholin-4-ylethanamine is sourced from PubChem (CID 110626613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).