5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethylbenzenesulfonamide

C15H25N3O2S — CID 43109838

IUPAC5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethylbenzenesulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)c1cc(N)cc(C)c1C
InChIInChI=1S/C15H25N3O2S/c1-4-18-7-5-6-14(18)10-17-21(19,20)15-9-13(16)8-11(2)12(15)3/h8-9,14,17H,4-7,10,16H2,1-3H3
InChIKeyAXYHXMZAXIEPHU-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.65
Rot. Bonds5

About 5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethylbenzenesulfonamide

5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethylbenzenesulfonamide (PubChem CID 43109838) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethylbenzenesulfonamide
PubChem CID43109838
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethylbenzenesulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)c1cc(N)cc(C)c1C
InChIInChI=1S/C15H25N3O2S/c1-4-18-7-5-6-14(18)10-17-21(19,20)15-9-13(16)8-11(2)12(15)3/h8-9,14,17H,4-7,10,16H2,1-3H3
InChIKeyAXYHXMZAXIEPHU-UHFFFAOYSA-N
XLogP1.65
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2,6-dibromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 43257821
5-amino-3-[(1-ethylpyrrolidin-2-yl)methylamino]-2-methylbenzenesulfonamide
CID 79899490
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,4,6-trimethylbenzenesulfonamide
CID 8025540
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 60813192
4-cyano-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylbenzenesulfonamide
CID 104952984
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 58858762
3-amino-5-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide
CID 60987259
methyl 4-[[(2S)-1-ethylpyrrolidin-2-yl]methylsulfamoyl]-1,5-dimethylpyrrole-2-carboxylate
CID 95068807
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 95571348
5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide
CID 113383127
4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
CID 23151964
3-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-4-methoxybenzamide
CID 2966184

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethylbenzenesulfonamide (CID 43109838) is 5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethylbenzenesulfonamide is CCN1CCCC1CNS(=O)(=O)c1cc(N)cc(C)c1C.
What is the InChIKey of 5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethylbenzenesulfonamide?
The InChIKey is AXYHXMZAXIEPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-18-7-5-6-14(18)10-17-21(19,20)15-9-13(16)8-11(2)12(15)3/h8-9,14,17H,4-7,10,16H2,1-3H3.
What are the key properties of 5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethylbenzenesulfonamide?
5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 43109838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).