N-(3-amino-4-methoxyphenyl)-2,6-dimethylmorpholine-4-sulfonamide

C13H21N3O4S — CID 43604677

IUPACN-(3-amino-4-methoxyphenyl)-2,6-dimethylmorpholine-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)N2CC(C)OC(C)C2)cc1N
InChIInChI=1S/C13H21N3O4S/c1-9-7-16(8-10(2)20-9)21(17,18)15-11-4-5-13(19-3)12(14)6-11/h4-6,9-10,15H,7-8,14H2,1-3H3
InChIKeySHAOYDHAYGNEBQ-UHFFFAOYSA-N
MW315.40 g/mol
LogP1.04
Rot. Bonds4

About N-(3-amino-4-methoxyphenyl)-2,6-dimethylmorpholine-4-sulfonamide

N-(3-amino-4-methoxyphenyl)-2,6-dimethylmorpholine-4-sulfonamide (PubChem CID 43604677) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-2,6-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-2,6-dimethylmorpholine-4-sulfonamide
PubChem CID43604677
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC NameN-(3-amino-4-methoxyphenyl)-2,6-dimethylmorpholine-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)N2CC(C)OC(C)C2)cc1N
InChIInChI=1S/C13H21N3O4S/c1-9-7-16(8-10(2)20-9)21(17,18)15-11-4-5-13(19-3)12(14)6-11/h4-6,9-10,15H,7-8,14H2,1-3H3
InChIKeySHAOYDHAYGNEBQ-UHFFFAOYSA-N
XLogP1.04
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethyl-N-[4-(methylamino)phenyl]morpholine-4-sulfonamide
CID 43604137
N-(3-amino-4-methoxyphenyl)methanesulfonamide
CID 10560665
(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 95337073
4-(2-methoxy-5-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2933021
N-(3-amino-4-ethylphenyl)-4-methylpiperidine-1-sulfonamide
CID 43551097
N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-3-sulfonamide
CID 43604632
4-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 3154510
N-(3-amino-4-methoxyphenyl)-4-bromobenzenesulfonamide
CID 43604638
N-[2-(2-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 42936490
N-(3-amino-4-methoxyphenyl)-1-sulfamoylpiperidine-4-carboxamide
CID 119420188
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-methoxybenzoate
CID 2361227
4-(2,4-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 19682685

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-2,6-dimethylmorpholine-4-sulfonamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-2,6-dimethylmorpholine-4-sulfonamide (CID 43604677) is N-(3-amino-4-methoxyphenyl)-2,6-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-2,6-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-2,6-dimethylmorpholine-4-sulfonamide is COc1ccc(NS(=O)(=O)N2CC(C)OC(C)C2)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-2,6-dimethylmorpholine-4-sulfonamide?
The InChIKey is SHAOYDHAYGNEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-9-7-16(8-10(2)20-9)21(17,18)15-11-4-5-13(19-3)12(14)6-11/h4-6,9-10,15H,7-8,14H2,1-3H3.
What are the key properties of N-(3-amino-4-methoxyphenyl)-2,6-dimethylmorpholine-4-sulfonamide?
N-(3-amino-4-methoxyphenyl)-2,6-dimethylmorpholine-4-sulfonamide has a molecular weight of 315.40 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-2,6-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 43604677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).