N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]methanesulfonamide

C13H20N2O3S — CID 110637672

IUPACN-[4-(3,3-dimethylmorpholin-4-yl)phenyl]methanesulfonamide
SMILESCC1(C)COCCN1c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-13(2)10-18-9-8-15(13)12-6-4-11(5-7-12)14-19(3,16)17/h4-7,14H,8-10H2,1-3H3
InChIKeyAJHUEGSQICVILF-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.67
Rot. Bonds3

About N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]methanesulfonamide

N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]methanesulfonamide (PubChem CID 110637672) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(3,3-dimethylmorpholin-4-yl)phenyl]methanesulfonamide
PubChem CID110637672
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[4-(3,3-dimethylmorpholin-4-yl)phenyl]methanesulfonamide
SMILESCC1(C)COCCN1c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-13(2)10-18-9-8-15(13)12-6-4-11(5-7-12)14-19(3,16)17/h4-7,14H,8-10H2,1-3H3
InChIKeyAJHUEGSQICVILF-UHFFFAOYSA-N
XLogP1.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-2,4-dimethylbenzenesulfonamide
CID 110637679
N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110408957
N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-4-ethoxybenzenesulfonamide
CID 110637700
3-acetyl-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzenesulfonamide
CID 110637706
4-[4-(chloromethyl)phenyl]-3,3-dimethylmorpholine
CID 61432795
N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-2-(4-fluorophenyl)acetamide
CID 110408878
2-(4-chlorophenyl)-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]acetamide
CID 110408879
2-bromo-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzamide
CID 110637633
N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-4-methoxybenzamide
CID 110637636
(1R)-1-[4-(3,3-dimethylmorpholin-4-yl)phenyl]ethanamine
CID 78934940
N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-2-methoxybenzamide
CID 110408869
3-bromo-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzamide
CID 110408865

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]methanesulfonamide (CID 110637672) is N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]methanesulfonamide is CC1(C)COCCN1c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]methanesulfonamide?
The InChIKey is AJHUEGSQICVILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-13(2)10-18-9-8-15(13)12-6-4-11(5-7-12)14-19(3,16)17/h4-7,14H,8-10H2,1-3H3.
What are the key properties of N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]methanesulfonamide?
N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]methanesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 110637672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).