N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzenesulfonamide

C14H22N2O3S — CID 47114338

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzenesulfonamide
SMILESCC1CN(CCNS(=O)(=O)c2ccccc2)CC(C)O1
InChIInChI=1S/C14H22N2O3S/c1-12-10-16(11-13(2)19-12)9-8-15-20(17,18)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3
InChIKeyLUAGLMWDOWLQOL-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.07
Rot. Bonds5

About N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzenesulfonamide

N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzenesulfonamide (PubChem CID 47114338) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzenesulfonamide
PubChem CID47114338
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzenesulfonamide
SMILESCC1CN(CCNS(=O)(=O)c2ccccc2)CC(C)O1
InChIInChI=1S/C14H22N2O3S/c1-12-10-16(11-13(2)19-12)9-8-15-20(17,18)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3
InChIKeyLUAGLMWDOWLQOL-UHFFFAOYSA-N
XLogP1.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(tetrazol-1-yl)benzenesulfonamide
CID 52519305
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3,4-diethoxybenzenesulfonamide
CID 55521871
4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 55520974
N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 51866575
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzenesulfonamide
CID 35391328
N-[3-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 46412219
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 55520811
1-(benzenesulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide
CID 43044329
N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
CID 58729757
N-[2-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)ethyl]benzenesulfonamide
CID 110707155
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylurea
CID 51333998
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,4-dimethylbenzenesulfonamide
CID 51330970

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzenesulfonamide (CID 47114338) is N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzenesulfonamide is CC1CN(CCNS(=O)(=O)c2ccccc2)CC(C)O1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzenesulfonamide?
The InChIKey is LUAGLMWDOWLQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-12-10-16(11-13(2)19-12)9-8-15-20(17,18)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3.
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzenesulfonamide?
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 47114338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).