4-[1-(methylamino)ethyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide

C14H23N3O2S — CID 61465032

IUPAC4-[1-(methylamino)ethyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
SMILESCNC(C)c1ccc(S(=O)(=O)NC2CCN(C)C2)cc1
InChIInChI=1S/C14H23N3O2S/c1-11(15-2)12-4-6-14(7-5-12)20(18,19)16-13-8-9-17(3)10-13/h4-7,11,13,15-16H,8-10H2,1-3H3
InChIKeyPLAZYZOJBKWDKO-UHFFFAOYSA-N
MW297.42 g/mol
LogP0.95
Rot. Bonds5

About 4-[1-(methylamino)ethyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide

4-[1-(methylamino)ethyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide (PubChem CID 61465032) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-[1-(methylamino)ethyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(methylamino)ethyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
PubChem CID61465032
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name4-[1-(methylamino)ethyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
SMILESCNC(C)c1ccc(S(=O)(=O)NC2CCN(C)C2)cc1
InChIInChI=1S/C14H23N3O2S/c1-11(15-2)12-4-6-14(7-5-12)20(18,19)16-13-8-9-17(3)10-13/h4-7,11,13,15-16H,8-10H2,1-3H3
InChIKeyPLAZYZOJBKWDKO-UHFFFAOYSA-N
XLogP0.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 61465004
4-(methanesulfonamido)-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide
CID 166308941
4-(aminomethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 54949736
3-(1-aminoethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 61464998
4-[2-(methylamino)ethoxy]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 106052280
3-[1-(methylamino)propyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 61465098
2-[4-[(1-methylpyrrolidin-3-yl)sulfamoyl]phenyl]ethanethioamide
CID 79186151
N-(1-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide
CID 110736348
4-[1-(methylamino)ethyl]-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 63662849
4-fluoro-3-(methylaminomethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 106052530
N,N-dimethyl-4-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide
CID 119145608
3-amino-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 54949568

Frequently Asked Questions

What is the IUPAC name of 4-[1-(methylamino)ethyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-[1-(methylamino)ethyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide (CID 61465032) is 4-[1-(methylamino)ethyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-[1-(methylamino)ethyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-[1-(methylamino)ethyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide is CNC(C)c1ccc(S(=O)(=O)NC2CCN(C)C2)cc1.
What is the InChIKey of 4-[1-(methylamino)ethyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is PLAZYZOJBKWDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-11(15-2)12-4-6-14(7-5-12)20(18,19)16-13-8-9-17(3)10-13/h4-7,11,13,15-16H,8-10H2,1-3H3.
What are the key properties of 4-[1-(methylamino)ethyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide?
4-[1-(methylamino)ethyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(methylamino)ethyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 61465032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).