2-ethylsulfonyl-N-methyl-N-(2-morpholin-4-ylethyl)aniline

C15H24N2O3S — CID 91662206

IUPAC2-ethylsulfonyl-N-methyl-N-(2-morpholin-4-ylethyl)aniline
SMILESCCS(=O)(=O)c1ccccc1N(C)CCN1CCOCC1
InChIInChI=1S/C15H24N2O3S/c1-3-21(18,19)15-7-5-4-6-14(15)16(2)8-9-17-10-12-20-13-11-17/h4-7H,3,8-13H2,1-2H3
InChIKeyXVWGLPYGPCUVNL-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.25
Rot. Bonds6

About 2-ethylsulfonyl-N-methyl-N-(2-morpholin-4-ylethyl)aniline

2-ethylsulfonyl-N-methyl-N-(2-morpholin-4-ylethyl)aniline (PubChem CID 91662206) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-methyl-N-(2-morpholin-4-ylethyl)aniline.

Molecular Properties

Compound Name2-ethylsulfonyl-N-methyl-N-(2-morpholin-4-ylethyl)aniline
PubChem CID91662206
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-ethylsulfonyl-N-methyl-N-(2-morpholin-4-ylethyl)aniline
SMILESCCS(=O)(=O)c1ccccc1N(C)CCN1CCOCC1
InChIInChI=1S/C15H24N2O3S/c1-3-21(18,19)15-7-5-4-6-14(15)16(2)8-9-17-10-12-20-13-11-17/h4-7H,3,8-13H2,1-2H3
InChIKeyXVWGLPYGPCUVNL-UHFFFAOYSA-N
XLogP1.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-methyl-N-(2-morpholin-4-ylethyl)aniline?
The IUPAC name of 2-ethylsulfonyl-N-methyl-N-(2-morpholin-4-ylethyl)aniline (CID 91662206) is 2-ethylsulfonyl-N-methyl-N-(2-morpholin-4-ylethyl)aniline.
What is the SMILES notation for 2-ethylsulfonyl-N-methyl-N-(2-morpholin-4-ylethyl)aniline?
The canonical SMILES for 2-ethylsulfonyl-N-methyl-N-(2-morpholin-4-ylethyl)aniline is CCS(=O)(=O)c1ccccc1N(C)CCN1CCOCC1.
What is the InChIKey of 2-ethylsulfonyl-N-methyl-N-(2-morpholin-4-ylethyl)aniline?
The InChIKey is XVWGLPYGPCUVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-21(18,19)15-7-5-4-6-14(15)16(2)8-9-17-10-12-20-13-11-17/h4-7H,3,8-13H2,1-2H3.
What are the key properties of 2-ethylsulfonyl-N-methyl-N-(2-morpholin-4-ylethyl)aniline?
2-ethylsulfonyl-N-methyl-N-(2-morpholin-4-ylethyl)aniline has a molecular weight of 312.44 g/mol, XLogP of 1.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-methyl-N-(2-morpholin-4-ylethyl)aniline is sourced from PubChem (CID 91662206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).