N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine

C15H24N2O2S — CID 79180625

IUPACN-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(S(=O)(=O)N2CC(C)C(C)C2)cc1
InChIInChI=1S/C15H24N2O2S/c1-4-16-9-14-5-7-15(8-6-14)20(18,19)17-10-12(2)13(3)11-17/h5-8,12-13,16H,4,9-11H2,1-3H3
InChIKeyGSDVPBCXEJMUDI-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.07
Rot. Bonds5

About N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine

N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine (PubChem CID 79180625) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
PubChem CID79180625
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(S(=O)(=O)N2CC(C)C(C)C2)cc1
InChIInChI=1S/C15H24N2O2S/c1-4-16-9-14-5-7-15(8-6-14)20(18,19)17-10-12(2)13(3)11-17/h5-8,12-13,16H,4,9-11H2,1-3H3
InChIKeyGSDVPBCXEJMUDI-UHFFFAOYSA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 61227035
N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine
CID 79178519
1-[4-(ethylaminomethyl)phenyl]sulfonylpiperidin-3-ol
CID 61435532
3-methyl-1-[4-(methylaminomethyl)phenyl]sulfonylpiperidin-4-ol
CID 114679139
4-methyl-1-(4-propylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120585465
1-[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 79036967
1-(4-ethylphenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114680539
N-[[4-[4-(2-methylphenyl)piperazin-1-yl]sulfonylphenyl]methyl]ethanamine
CID 71040305
N-[[4-(2-ethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 60974926
3,5-dimethyl-1-(4-propylphenyl)sulfonylpiperazine
CID 63871954
N-[[4-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 63217971
3-[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]prop-2-yn-1-ol
CID 79180844

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine (CID 79180625) is N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine is CCNCc1ccc(S(=O)(=O)N2CC(C)C(C)C2)cc1.
What is the InChIKey of N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine?
The InChIKey is GSDVPBCXEJMUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-16-9-14-5-7-15(8-6-14)20(18,19)17-10-12(2)13(3)11-17/h5-8,12-13,16H,4,9-11H2,1-3H3.
What are the key properties of N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine?
N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine has a molecular weight of 296.44 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine is sourced from PubChem (CID 79180625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).