1-[4-(ethylamino)phenyl]sulfonyl-N,N,4-trimethylpyrrolidin-3-amine

C15H25N3O2S — CID 81463975

IUPAC1-[4-(ethylamino)phenyl]sulfonyl-N,N,4-trimethylpyrrolidin-3-amine
SMILESCCNc1ccc(S(=O)(=O)N2CC(C)C(N(C)C)C2)cc1
InChIInChI=1S/C15H25N3O2S/c1-5-16-13-6-8-14(9-7-13)21(19,20)18-10-12(2)15(11-18)17(3)4/h6-9,12,15-16H,5,10-11H2,1-4H3
InChIKeyJVTZVLOOHKERKA-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.69
Rot. Bonds5

About 1-[4-(ethylamino)phenyl]sulfonyl-N,N,4-trimethylpyrrolidin-3-amine

1-[4-(ethylamino)phenyl]sulfonyl-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81463975) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-[4-(ethylamino)phenyl]sulfonyl-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[4-(ethylamino)phenyl]sulfonyl-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81463975
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name1-[4-(ethylamino)phenyl]sulfonyl-N,N,4-trimethylpyrrolidin-3-amine
SMILESCCNc1ccc(S(=O)(=O)N2CC(C)C(N(C)C)C2)cc1
InChIInChI=1S/C15H25N3O2S/c1-5-16-13-6-8-14(9-7-13)21(19,20)18-10-12(2)15(11-18)17(3)4/h6-9,12,15-16H,5,10-11H2,1-4H3
InChIKeyJVTZVLOOHKERKA-UHFFFAOYSA-N
XLogP1.69
TPSA52.65 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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-(4-ethyl-3-methylpiperazin-1-yl)sulfonylaniline
CID 63605307
[3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]sulfonylphenyl]methanol
CID 81469076
N-ethyl-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline
CID 62157747
N-ethyl-4-(4-ethylpiperazin-1-yl)sulfonylaniline
CID 62149446
N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 79180625
1-[5-(chloromethyl)-1-methylpyrrol-3-yl]sulfonyl-N,N,4-trimethylpyrrolidin-3-amine
CID 81468855
[1-[4-(ethylamino)phenyl]sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 102789177
N-ethyl-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline
CID 63162308
N-ethyl-4-[3-(methoxymethyl)piperidin-1-yl]sulfonylaniline
CID 106588733
1-(5-amino-2-methylphenyl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine
CID 81460569
4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 43415076
4-[4-(ethylamino)phenyl]sulfonylpiperazin-2-one
CID 62144052

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)phenyl]sulfonyl-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[4-(ethylamino)phenyl]sulfonyl-N,N,4-trimethylpyrrolidin-3-amine (CID 81463975) is 1-[4-(ethylamino)phenyl]sulfonyl-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[4-(ethylamino)phenyl]sulfonyl-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[4-(ethylamino)phenyl]sulfonyl-N,N,4-trimethylpyrrolidin-3-amine is CCNc1ccc(S(=O)(=O)N2CC(C)C(N(C)C)C2)cc1.
What is the InChIKey of 1-[4-(ethylamino)phenyl]sulfonyl-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is JVTZVLOOHKERKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-5-16-13-6-8-14(9-7-13)21(19,20)18-10-12(2)15(11-18)17(3)4/h6-9,12,15-16H,5,10-11H2,1-4H3.
What are the key properties of 1-[4-(ethylamino)phenyl]sulfonyl-N,N,4-trimethylpyrrolidin-3-amine?
1-[4-(ethylamino)phenyl]sulfonyl-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 311.45 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)phenyl]sulfonyl-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81463975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).