4-[(4-ethylmorpholin-2-yl)methylamino]-N-methylbenzenesulfonamide

C14H23N3O3S — CID 114400653

IUPAC4-[(4-ethylmorpholin-2-yl)methylamino]-N-methylbenzenesulfonamide
SMILESCCN1CCOC(CNc2ccc(S(=O)(=O)NC)cc2)C1
InChIInChI=1S/C14H23N3O3S/c1-3-17-8-9-20-13(11-17)10-16-12-4-6-14(7-5-12)21(18,19)15-2/h4-7,13,15-16H,3,8-11H2,1-2H3
InChIKeyRNSDXMSTYYUWBF-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.73
Rot. Bonds6

About 4-[(4-ethylmorpholin-2-yl)methylamino]-N-methylbenzenesulfonamide

4-[(4-ethylmorpholin-2-yl)methylamino]-N-methylbenzenesulfonamide (PubChem CID 114400653) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-[(4-ethylmorpholin-2-yl)methylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(4-ethylmorpholin-2-yl)methylamino]-N-methylbenzenesulfonamide
PubChem CID114400653
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name4-[(4-ethylmorpholin-2-yl)methylamino]-N-methylbenzenesulfonamide
SMILESCCN1CCOC(CNc2ccc(S(=O)(=O)NC)cc2)C1
InChIInChI=1S/C14H23N3O3S/c1-3-17-8-9-20-13(11-17)10-16-12-4-6-14(7-5-12)21(18,19)15-2/h4-7,13,15-16H,3,8-11H2,1-2H3
InChIKeyRNSDXMSTYYUWBF-UHFFFAOYSA-N
XLogP0.73
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-ethylpyrrolidin-3-yl)methylamino]-N-methylbenzenesulfonamide
CID 60856715
N-[(4-ethylmorpholin-2-yl)methyl]-4-propylaniline
CID 79166530
N-[(4-ethylmorpholin-2-yl)methyl]pyridin-4-amine
CID 114400660
4-[(4-ethylmorpholin-2-yl)methylamino]benzamide
CID 79166709
N-[(4-ethylmorpholin-2-yl)methyl]-6-nitropyridin-3-amine
CID 115633969
N-[(4-ethylmorpholin-2-yl)methyl]-3,4,5-trifluoroaniline
CID 79165761
4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylaniline
CID 79165325
N-[(4-ethylmorpholin-2-yl)methyl]-4-methoxy-3-methylaniline
CID 79166344
N-[(4-ethylmorpholin-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 114401040
N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoroaniline
CID 79166710
4-[(4-ethylmorpholin-2-yl)methylamino]-N-methylpyridine-2-carboxamide
CID 114400602
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-hydroxybenzenesulfonamide
CID 114399093

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylmorpholin-2-yl)methylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[(4-ethylmorpholin-2-yl)methylamino]-N-methylbenzenesulfonamide (CID 114400653) is 4-[(4-ethylmorpholin-2-yl)methylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[(4-ethylmorpholin-2-yl)methylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[(4-ethylmorpholin-2-yl)methylamino]-N-methylbenzenesulfonamide is CCN1CCOC(CNc2ccc(S(=O)(=O)NC)cc2)C1.
What is the InChIKey of 4-[(4-ethylmorpholin-2-yl)methylamino]-N-methylbenzenesulfonamide?
The InChIKey is RNSDXMSTYYUWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-3-17-8-9-20-13(11-17)10-16-12-4-6-14(7-5-12)21(18,19)15-2/h4-7,13,15-16H,3,8-11H2,1-2H3.
What are the key properties of 4-[(4-ethylmorpholin-2-yl)methylamino]-N-methylbenzenesulfonamide?
4-[(4-ethylmorpholin-2-yl)methylamino]-N-methylbenzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylmorpholin-2-yl)methylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 114400653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).