N-ethyl-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline

C15H24N2O3S — CID 62157747

IUPACN-ethyl-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline
SMILESCCNc1ccc(S(=O)(=O)N2CC(C)OC(C)(C)C2)cc1
InChIInChI=1S/C15H24N2O3S/c1-5-16-13-6-8-14(9-7-13)21(18,19)17-10-12(2)20-15(3,4)11-17/h6-9,12,16H,5,10-11H2,1-4H3
InChIKeyVVDSIIIZNROFSN-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.31
Rot. Bonds4

About N-ethyl-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline

N-ethyl-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline (PubChem CID 62157747) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-ethyl-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline.

Molecular Properties

Compound NameN-ethyl-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline
PubChem CID62157747
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-ethyl-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline
SMILESCCNc1ccc(S(=O)(=O)N2CC(C)OC(C)(C)C2)cc1
InChIInChI=1S/C15H24N2O3S/c1-5-16-13-6-8-14(9-7-13)21(18,19)17-10-12(2)20-15(3,4)11-17/h6-9,12,16H,5,10-11H2,1-4H3
InChIKeyVVDSIIIZNROFSN-UHFFFAOYSA-N
XLogP2.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethylsulfonylphenyl)sulfonyl-2,2,6-trimethylmorpholine
CID 48629637
4-(benzenesulfonyl)-2,2,6-trimethylmorpholine
CID 47429979
2-fluoro-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline
CID 82843726
2,2,6-trimethyl-4-pyridin-3-ylsulfonylmorpholine
CID 47429920
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2,2,6-trimethylmorpholine
CID 48629728
5-(2,2,6-trimethylmorpholin-4-yl)sulfonylpyridine-2-carbonitrile
CID 115602772
N-ethyl-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline
CID 63162308
2,2,6-trimethyl-4-(1H-pyrazol-4-ylsulfonyl)morpholine
CID 47429921
1-[4-(ethylamino)phenyl]sulfonyl-N,N,4-trimethylpyrrolidin-3-amine
CID 81463975
N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)sulfonylaniline
CID 63605307
2,6-difluoro-3-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline
CID 107343465
N-ethyl-4-(4-ethylpiperazin-1-yl)sulfonylaniline
CID 62149446

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline?
The IUPAC name of N-ethyl-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline (CID 62157747) is N-ethyl-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline.
What is the SMILES notation for N-ethyl-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline?
The canonical SMILES for N-ethyl-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline is CCNc1ccc(S(=O)(=O)N2CC(C)OC(C)(C)C2)cc1.
What is the InChIKey of N-ethyl-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline?
The InChIKey is VVDSIIIZNROFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-5-16-13-6-8-14(9-7-13)21(18,19)17-10-12(2)20-15(3,4)11-17/h6-9,12,16H,5,10-11H2,1-4H3.
What are the key properties of N-ethyl-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline?
N-ethyl-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline has a molecular weight of 312.44 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline is sourced from PubChem (CID 62157747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).