1-(2-amino-6-methylphenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine

C15H25N3O2S — CID 63168134

IUPAC1-(2-amino-6-methylphenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)c2c(C)cccc2N)C1
InChIInChI=1S/C15H25N3O2S/c1-4-17(5-2)13-9-10-18(11-13)21(19,20)15-12(3)7-6-8-14(15)16/h6-8,13H,4-5,9-11,16H2,1-3H3
InChIKeyAMAMYYVUQWNNPW-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.68
Rot. Bonds5

About 1-(2-amino-6-methylphenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine

1-(2-amino-6-methylphenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine (PubChem CID 63168134) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-(2-amino-6-methylphenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-amino-6-methylphenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine
PubChem CID63168134
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name1-(2-amino-6-methylphenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)c2c(C)cccc2N)C1
InChIInChI=1S/C15H25N3O2S/c1-4-17(5-2)13-9-10-18(11-13)21(19,20)15-12(3)7-6-8-14(15)16/h6-8,13H,4-5,9-11,16H2,1-3H3
InChIKeyAMAMYYVUQWNNPW-UHFFFAOYSA-N
XLogP1.68
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-methylphenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-(2-amino-6-methylphenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine (CID 63168134) is 1-(2-amino-6-methylphenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2-amino-6-methylphenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-(2-amino-6-methylphenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(S(=O)(=O)c2c(C)cccc2N)C1.
What is the InChIKey of 1-(2-amino-6-methylphenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine?
The InChIKey is AMAMYYVUQWNNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-17(5-2)13-9-10-18(11-13)21(19,20)15-12(3)7-6-8-14(15)16/h6-8,13H,4-5,9-11,16H2,1-3H3.
What are the key properties of 1-(2-amino-6-methylphenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine?
1-(2-amino-6-methylphenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine has a molecular weight of 311.45 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-methylphenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 63168134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).