4-amino-3-(3,3-dimethylmorpholin-4-yl)-N,N-dimethylbenzenesulfonamide

C14H23N3O3S — CID 82898104

IUPAC4-amino-3-(3,3-dimethylmorpholin-4-yl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N)c(N2CCOCC2(C)C)c1
InChIInChI=1S/C14H23N3O3S/c1-14(2)10-20-8-7-17(14)13-9-11(5-6-12(13)15)21(18,19)16(3)4/h5-6,9H,7-8,10,15H2,1-4H3
InChIKeyCXJDTZMTQDWUBN-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.13
Rot. Bonds3

About 4-amino-3-(3,3-dimethylmorpholin-4-yl)-N,N-dimethylbenzenesulfonamide

4-amino-3-(3,3-dimethylmorpholin-4-yl)-N,N-dimethylbenzenesulfonamide (PubChem CID 82898104) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-amino-3-(3,3-dimethylmorpholin-4-yl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(3,3-dimethylmorpholin-4-yl)-N,N-dimethylbenzenesulfonamide
PubChem CID82898104
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name4-amino-3-(3,3-dimethylmorpholin-4-yl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N)c(N2CCOCC2(C)C)c1
InChIInChI=1S/C14H23N3O3S/c1-14(2)10-20-8-7-17(14)13-9-11(5-6-12(13)15)21(18,19)16(3)4/h5-6,9H,7-8,10,15H2,1-4H3
InChIKeyCXJDTZMTQDWUBN-UHFFFAOYSA-N
XLogP1.13
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3,3-dimethylmorpholin-4-yl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-3-(3,3-dimethylmorpholin-4-yl)-N,N-dimethylbenzenesulfonamide (CID 82898104) is 4-amino-3-(3,3-dimethylmorpholin-4-yl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-(3,3-dimethylmorpholin-4-yl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-(3,3-dimethylmorpholin-4-yl)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(N)c(N2CCOCC2(C)C)c1.
What is the InChIKey of 4-amino-3-(3,3-dimethylmorpholin-4-yl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is CXJDTZMTQDWUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-14(2)10-20-8-7-17(14)13-9-11(5-6-12(13)15)21(18,19)16(3)4/h5-6,9H,7-8,10,15H2,1-4H3.
What are the key properties of 4-amino-3-(3,3-dimethylmorpholin-4-yl)-N,N-dimethylbenzenesulfonamide?
4-amino-3-(3,3-dimethylmorpholin-4-yl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3,3-dimethylmorpholin-4-yl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 82898104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).