N-methyl-2-[(4-morpholin-4-ylphenyl)methylamino]ethanesulfonamide

C14H23N3O3S — CID 102674921

IUPACN-methyl-2-[(4-morpholin-4-ylphenyl)methylamino]ethanesulfonamide
SMILESCNS(=O)(=O)CCNCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H23N3O3S/c1-15-21(18,19)11-6-16-12-13-2-4-14(5-3-13)17-7-9-20-10-8-17/h2-5,15-16H,6-12H2,1H3
InChIKeyGOJQYPGSCYAPAH-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.16
Rot. Bonds7

About N-methyl-2-[(4-morpholin-4-ylphenyl)methylamino]ethanesulfonamide

N-methyl-2-[(4-morpholin-4-ylphenyl)methylamino]ethanesulfonamide (PubChem CID 102674921) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-methyl-2-[(4-morpholin-4-ylphenyl)methylamino]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[(4-morpholin-4-ylphenyl)methylamino]ethanesulfonamide
PubChem CID102674921
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-methyl-2-[(4-morpholin-4-ylphenyl)methylamino]ethanesulfonamide
SMILESCNS(=O)(=O)CCNCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H23N3O3S/c1-15-21(18,19)11-6-16-12-13-2-4-14(5-3-13)17-7-9-20-10-8-17/h2-5,15-16H,6-12H2,1H3
InChIKeyGOJQYPGSCYAPAH-UHFFFAOYSA-N
XLogP0.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(4-morpholin-4-ylphenyl)methyl]pent-3-en-1-amine
CID 115629182
N,N-dimethyl-3-[(4-morpholin-4-ylphenyl)methylamino]propanamide
CID 60926491
N,N-dimethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]ethanesulfonamide
CID 106335032
2-[(4-morpholin-4-ylphenyl)methylamino]ethyl carbamate
CID 83210921
N-[(4-morpholin-4-ylphenyl)methyl]but-2-yn-1-amine
CID 113342036
N-(3-ethylsulfonylpropyl)-4-morpholin-4-ylaniline
CID 65093375
2-cyclobutyl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine
CID 115690242
2-(1,3-benzodioxol-5-ylmethylamino)-N-methylethanesulfonamide
CID 106333551
N-methyl-2-(4-morpholin-4-ylphenyl)ethanamine
CID 82616430
N-methyl-6-[(4-morpholin-4-ylphenyl)methylamino]pyridine-3-sulfonamide
CID 133298461
N-methyl-2-[(4-propoxyphenyl)methylamino]ethanesulfonamide
CID 102675093
3-methyl-1-[(4-morpholin-4-ylphenyl)methylamino]butan-2-ol
CID 111422027

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(4-morpholin-4-ylphenyl)methylamino]ethanesulfonamide?
The IUPAC name of N-methyl-2-[(4-morpholin-4-ylphenyl)methylamino]ethanesulfonamide (CID 102674921) is N-methyl-2-[(4-morpholin-4-ylphenyl)methylamino]ethanesulfonamide.
What is the SMILES notation for N-methyl-2-[(4-morpholin-4-ylphenyl)methylamino]ethanesulfonamide?
The canonical SMILES for N-methyl-2-[(4-morpholin-4-ylphenyl)methylamino]ethanesulfonamide is CNS(=O)(=O)CCNCc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-methyl-2-[(4-morpholin-4-ylphenyl)methylamino]ethanesulfonamide?
The InChIKey is GOJQYPGSCYAPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-15-21(18,19)11-6-16-12-13-2-4-14(5-3-13)17-7-9-20-10-8-17/h2-5,15-16H,6-12H2,1H3.
What are the key properties of N-methyl-2-[(4-morpholin-4-ylphenyl)methylamino]ethanesulfonamide?
N-methyl-2-[(4-morpholin-4-ylphenyl)methylamino]ethanesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(4-morpholin-4-ylphenyl)methylamino]ethanesulfonamide is sourced from PubChem (CID 102674921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).