5-(2,2-dimethylmorpholin-4-yl)sulfonyl-N,N,2-trimethylaniline

C15H24N2O3S — CID 71921344

IUPAC5-(2,2-dimethylmorpholin-4-yl)sulfonyl-N,N,2-trimethylaniline
SMILESCc1ccc(S(=O)(=O)N2CCOC(C)(C)C2)cc1N(C)C
InChIInChI=1S/C15H24N2O3S/c1-12-6-7-13(10-14(12)16(4)5)21(18,19)17-8-9-20-15(2,3)11-17/h6-7,10H,8-9,11H2,1-5H3
InChIKeyWJNMGJCWXWHEHH-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.86
Rot. Bonds3

About 5-(2,2-dimethylmorpholin-4-yl)sulfonyl-N,N,2-trimethylaniline

5-(2,2-dimethylmorpholin-4-yl)sulfonyl-N,N,2-trimethylaniline (PubChem CID 71921344) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 5-(2,2-dimethylmorpholin-4-yl)sulfonyl-N,N,2-trimethylaniline.

Molecular Properties

Compound Name5-(2,2-dimethylmorpholin-4-yl)sulfonyl-N,N,2-trimethylaniline
PubChem CID71921344
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name5-(2,2-dimethylmorpholin-4-yl)sulfonyl-N,N,2-trimethylaniline
SMILESCc1ccc(S(=O)(=O)N2CCOC(C)(C)C2)cc1N(C)C
InChIInChI=1S/C15H24N2O3S/c1-12-6-7-13(10-14(12)16(4)5)21(18,19)17-8-9-20-15(2,3)11-17/h6-7,10H,8-9,11H2,1-5H3
InChIKeyWJNMGJCWXWHEHH-UHFFFAOYSA-N
XLogP1.86
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-(2,2-dimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 43430976
2-chloro-4-(2,2-dimethylmorpholin-4-yl)sulfonylbenzonitrile
CID 115582140
4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2,2-dimethylmorpholine
CID 107326755
4-[4-(2-chloroethyl)phenyl]sulfonyl-2,2-dimethylmorpholine
CID 43662638
[4-(2,2-dimethylmorpholin-4-yl)sulfonyl-2-pyridinyl]hydrazine
CID 54895589
3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-2-methylaniline
CID 43592447
N,N,2-trimethyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylaniline;hydrochloride
CID 119978372
1-[3-(dimethylamino)-4-methylphenyl]sulfonyl-N-methylpiperidin-3-amine
CID 120714488
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2-dimethylmorpholine
CID 64607202
3-(2,2-dimethylmorpholin-4-yl)sulfonyl-6-fluoro-2,4-dimethylaniline
CID 107325666
3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
CID 64607116
3-(2,2-dimethylmorpholin-4-yl)sulfonyl-4-fluoro-5-methylaniline
CID 80645839

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylmorpholin-4-yl)sulfonyl-N,N,2-trimethylaniline?
The IUPAC name of 5-(2,2-dimethylmorpholin-4-yl)sulfonyl-N,N,2-trimethylaniline (CID 71921344) is 5-(2,2-dimethylmorpholin-4-yl)sulfonyl-N,N,2-trimethylaniline.
What is the SMILES notation for 5-(2,2-dimethylmorpholin-4-yl)sulfonyl-N,N,2-trimethylaniline?
The canonical SMILES for 5-(2,2-dimethylmorpholin-4-yl)sulfonyl-N,N,2-trimethylaniline is Cc1ccc(S(=O)(=O)N2CCOC(C)(C)C2)cc1N(C)C.
What is the InChIKey of 5-(2,2-dimethylmorpholin-4-yl)sulfonyl-N,N,2-trimethylaniline?
The InChIKey is WJNMGJCWXWHEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12-6-7-13(10-14(12)16(4)5)21(18,19)17-8-9-20-15(2,3)11-17/h6-7,10H,8-9,11H2,1-5H3.
What are the key properties of 5-(2,2-dimethylmorpholin-4-yl)sulfonyl-N,N,2-trimethylaniline?
5-(2,2-dimethylmorpholin-4-yl)sulfonyl-N,N,2-trimethylaniline has a molecular weight of 312.44 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylmorpholin-4-yl)sulfonyl-N,N,2-trimethylaniline is sourced from PubChem (CID 71921344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).