4-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide

C14H23N3O3S — CID 63264028

IUPAC4-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide
SMILESCNCC1CCN(CCOc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C14H23N3O3S/c1-16-10-12-6-7-17(11-12)8-9-20-13-2-4-14(5-3-13)21(15,18)19/h2-5,12,16H,6-11H2,1H3,(H2,15,18,19)
InChIKeyPGULTRYMMIRBEM-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.25
Rot. Bonds7

About 4-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide

4-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide (PubChem CID 63264028) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide
PubChem CID63264028
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name4-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide
SMILESCNCC1CCN(CCOc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C14H23N3O3S/c1-16-10-12-6-7-17(11-12)8-9-20-13-2-4-14(5-3-13)21(15,18)19/h2-5,12,16H,6-11H2,1H3,(H2,15,18,19)
InChIKeyPGULTRYMMIRBEM-UHFFFAOYSA-N
XLogP0.25
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[4-(ethylaminomethyl)piperidin-1-yl]ethoxy]benzenesulfonamide
CID 119927841
N-methyl-1-[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119921928
4-[2-(3-aminopiperidin-1-yl)ethoxy]benzenesulfonamide
CID 61295573
4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 78962070
1-[1-[3-(4-fluorophenoxy)propyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263845
4-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)ethoxy]benzenesulfonamide;hydrochloride
CID 119927332
N-methyl-1-[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 63264368
4-[2-[3-(methylaminomethyl)piperidin-1-yl]ethoxy]benzonitrile
CID 61203832
N-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]methanamine
CID 119978174
4-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy]benzenesulfonamide
CID 34704622
1-[1-[4-(2-methoxyethoxy)phenyl]sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978169
4-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethoxy]benzenesulfonamide
CID 34933504

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide?
The IUPAC name of 4-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide (CID 63264028) is 4-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide.
What is the SMILES notation for 4-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide?
The canonical SMILES for 4-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide is CNCC1CCN(CCOc2ccc(S(N)(=O)=O)cc2)C1.
What is the InChIKey of 4-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide?
The InChIKey is PGULTRYMMIRBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-16-10-12-6-7-17(11-12)8-9-20-13-2-4-14(5-3-13)21(15,18)19/h2-5,12,16H,6-11H2,1H3,(H2,15,18,19).
What are the key properties of 4-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide?
4-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide is sourced from PubChem (CID 63264028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).