1-(2-amino-4-methylphenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine

C15H25N3O2S — CID 63168088

IUPAC1-(2-amino-4-methylphenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)c2ccc(C)cc2N)C1
InChIInChI=1S/C15H25N3O2S/c1-4-17(5-2)13-8-9-18(11-13)21(19,20)15-7-6-12(3)10-14(15)16/h6-7,10,13H,4-5,8-9,11,16H2,1-3H3
InChIKeyLLMQLVDYKXFXAJ-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.68
Rot. Bonds5

About 1-(2-amino-4-methylphenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine

1-(2-amino-4-methylphenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine (PubChem CID 63168088) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-(2-amino-4-methylphenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-amino-4-methylphenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine
PubChem CID63168088
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name1-(2-amino-4-methylphenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)c2ccc(C)cc2N)C1
InChIInChI=1S/C15H25N3O2S/c1-4-17(5-2)13-8-9-18(11-13)21(19,20)15-7-6-12(3)10-14(15)16/h6-7,10,13H,4-5,8-9,11,16H2,1-3H3
InChIKeyLLMQLVDYKXFXAJ-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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Related Compounds

1-(2-amino-5-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine
CID 63168219
1-(2-amino-6-methylphenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine
CID 63168134
3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine
CID 63174974
1-(4-amino-3-fluorophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine
CID 82846137
4-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-1-ethylpyrazol-3-amine
CID 63168177
N,N-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine
CID 63174779
N,N-diethyl-1-(2-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 63169136
5-methyl-2-(4-methylazepan-1-yl)sulfonylaniline
CID 55248434
5-bromo-3-[3-(diethylamino)pyrrolidin-1-yl]sulfonylpyridin-2-amine
CID 63175019
5-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)aniline
CID 66393238
1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidin-3-amine
CID 63164439
1-(2-amino-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 43577792

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methylphenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-(2-amino-4-methylphenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine (CID 63168088) is 1-(2-amino-4-methylphenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2-amino-4-methylphenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-(2-amino-4-methylphenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(S(=O)(=O)c2ccc(C)cc2N)C1.
What is the InChIKey of 1-(2-amino-4-methylphenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine?
The InChIKey is LLMQLVDYKXFXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-17(5-2)13-8-9-18(11-13)21(19,20)15-7-6-12(3)10-14(15)16/h6-7,10,13H,4-5,8-9,11,16H2,1-3H3.
What are the key properties of 1-(2-amino-4-methylphenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine?
1-(2-amino-4-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-4-methylphenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 63168088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).