N,N-dimethyl-3-(2,5,5-trimethylmorpholine-4-carbonyl)benzenesulfonamide

C16H24N2O4S — CID 110353783

IUPACN,N-dimethyl-3-(2,5,5-trimethylmorpholine-4-carbonyl)benzenesulfonamide
SMILESCC1CN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)C(C)(C)CO1
InChIInChI=1S/C16H24N2O4S/c1-12-10-18(16(2,3)11-22-12)15(19)13-7-6-8-14(9-13)23(20,21)17(4)5/h6-9,12H,10-11H2,1-5H3
InChIKeyUKCLQRRHKAESLZ-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.58
Rot. Bonds3

About N,N-dimethyl-3-(2,5,5-trimethylmorpholine-4-carbonyl)benzenesulfonamide

N,N-dimethyl-3-(2,5,5-trimethylmorpholine-4-carbonyl)benzenesulfonamide (PubChem CID 110353783) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N,N-dimethyl-3-(2,5,5-trimethylmorpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(2,5,5-trimethylmorpholine-4-carbonyl)benzenesulfonamide
PubChem CID110353783
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN,N-dimethyl-3-(2,5,5-trimethylmorpholine-4-carbonyl)benzenesulfonamide
SMILESCC1CN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)C(C)(C)CO1
InChIInChI=1S/C16H24N2O4S/c1-12-10-18(16(2,3)11-22-12)15(19)13-7-6-8-14(9-13)23(20,21)17(4)5/h6-9,12H,10-11H2,1-5H3
InChIKeyUKCLQRRHKAESLZ-UHFFFAOYSA-N
XLogP1.58
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 51293136
3-(2,5,5-trimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 110421938
N,N-dimethyl-3-(3-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 110354676
N,N-dimethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
CID 8502446
3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 43070657
N,N-dimethyl-3-(2-phenylmorpholine-4-carbonyl)benzenesulfonamide
CID 110354508
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
CID 18289694
3-methyl-N-[2-oxo-2-(2,5,5-trimethylmorpholin-4-yl)ethyl]benzamide
CID 86816066
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(dimethylsulfamoyl)benzamide
CID 17436533
N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119492403
3-(6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine-4-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 110629008
3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 120748729

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2,5,5-trimethylmorpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-(2,5,5-trimethylmorpholine-4-carbonyl)benzenesulfonamide (CID 110353783) is N,N-dimethyl-3-(2,5,5-trimethylmorpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-(2,5,5-trimethylmorpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-(2,5,5-trimethylmorpholine-4-carbonyl)benzenesulfonamide is CC1CN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)C(C)(C)CO1.
What is the InChIKey of N,N-dimethyl-3-(2,5,5-trimethylmorpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is UKCLQRRHKAESLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-12-10-18(16(2,3)11-22-12)15(19)13-7-6-8-14(9-13)23(20,21)17(4)5/h6-9,12H,10-11H2,1-5H3.
What are the key properties of N,N-dimethyl-3-(2,5,5-trimethylmorpholine-4-carbonyl)benzenesulfonamide?
N,N-dimethyl-3-(2,5,5-trimethylmorpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 340.45 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(2,5,5-trimethylmorpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 110353783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).