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

C15H25N3O2S — CID 61465098

IUPAC3-[1-(methylamino)propyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
SMILESCCC(NC)c1cccc(S(=O)(=O)NC2CCN(C)C2)c1
InChIInChI=1S/C15H25N3O2S/c1-4-15(16-2)12-6-5-7-14(10-12)21(19,20)17-13-8-9-18(3)11-13/h5-7,10,13,15-17H,4,8-9,11H2,1-3H3
InChIKeyGPVPMKXPNOUAFI-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.34
Rot. Bonds6

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

3-[1-(methylamino)propyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide (PubChem CID 61465098) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-[1-(methylamino)propyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-[1-(methylamino)propyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
PubChem CID61465098
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name3-[1-(methylamino)propyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
SMILESCCC(NC)c1cccc(S(=O)(=O)NC2CCN(C)C2)c1
InChIInChI=1S/C15H25N3O2S/c1-4-15(16-2)12-6-5-7-14(10-12)21(19,20)17-13-8-9-18(3)11-13/h5-7,10,13,15-17H,4,8-9,11H2,1-3H3
InChIKeyGPVPMKXPNOUAFI-UHFFFAOYSA-N
XLogP1.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-aminoethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 61464998
3-amino-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 54949568
3-(chloromethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 114279731
3-[1-(methylamino)propyl]-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63279537
4-[1-(methylamino)ethyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 61465032
4-(aminomethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 54949736
4-(1-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 61465004
N-methyl-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]propan-1-amine
CID 60873418
3-[1-(methylamino)propyl]-N-propylbenzenesulfonamide
CID 60872255
3-[(1R)-1-(methylamino)propyl]-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 93345301
1-methyl-N-[1-(3-nitrophenyl)propyl]pyrrolidin-3-amine
CID 61462195
4-fluoro-3-(methylaminomethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 106052530

Frequently Asked Questions

What is the IUPAC name of 3-[1-(methylamino)propyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 3-[1-(methylamino)propyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide (CID 61465098) is 3-[1-(methylamino)propyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-[1-(methylamino)propyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 3-[1-(methylamino)propyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide is CCC(NC)c1cccc(S(=O)(=O)NC2CCN(C)C2)c1.
What is the InChIKey of 3-[1-(methylamino)propyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is GPVPMKXPNOUAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-15(16-2)12-6-5-7-14(10-12)21(19,20)17-13-8-9-18(3)11-13/h5-7,10,13,15-17H,4,8-9,11H2,1-3H3.
What are the key properties of 3-[1-(methylamino)propyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide?
3-[1-(methylamino)propyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(methylamino)propyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 61465098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).