3-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]benzenesulfonamide

C14H21N3O2S — CID 62982169

IUPAC3-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(CNC2CCN(C3CC3)C2)c1
InChIInChI=1S/C14H21N3O2S/c15-20(18,19)14-3-1-2-11(8-14)9-16-12-6-7-17(10-12)13-4-5-13/h1-3,8,12-13,16H,4-7,9-10H2,(H2,15,18,19)
InChIKeyUUWKJVOHVMYRNG-UHFFFAOYSA-N
MW295.41 g/mol
LogP0.66
Rot. Bonds5

About 3-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]benzenesulfonamide

3-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]benzenesulfonamide (PubChem CID 62982169) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 3-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]benzenesulfonamide
PubChem CID62982169
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name3-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(CNC2CCN(C3CC3)C2)c1
InChIInChI=1S/C14H21N3O2S/c15-20(18,19)14-3-1-2-11(8-14)9-16-12-6-7-17(10-12)13-4-5-13/h1-3,8,12-13,16H,4-7,9-10H2,(H2,15,18,19)
InChIKeyUUWKJVOHVMYRNG-UHFFFAOYSA-N
XLogP0.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[(3-sulfamoylphenyl)methyl]guanidine
CID 111919625
tert-butyl 3-[(3-sulfamoylphenyl)methylamino]pyrrolidine-1-carboxylate
CID 113268866
3-[[(3,5-dimethylcyclohexyl)amino]methyl]benzenesulfonamide
CID 64752597
3-[[(3-cyclopropylcyclohexyl)amino]methyl]benzenesulfonamide
CID 64623774
1-cyclopropyl-N-[(4-iodophenyl)methyl]pyrrolidin-3-amine
CID 65477786
(3S)-N-benzyl-1-cyclopropylpiperidin-3-amine
CID 95912398
3-[[(2-methyloxolan-3-yl)amino]methyl]benzenesulfonamide
CID 82727555
3-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]benzenesulfonamide
CID 60859792
N-[(4-chloro-3-nitrophenyl)methyl]-1-cyclopropylpyrrolidin-3-amine
CID 78942716
1-[4-(benzylamino)cyclohexyl]pyrrolidin-3-amine
CID 156595341
1-cyclopropyl-N-[(4-trimethylsilylphenyl)methyl]pyrrolidin-3-amine
CID 103437727
N-benzyl-1-cyclopentylpiperidin-3-amine
CID 83993823

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]benzenesulfonamide?
The IUPAC name of 3-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]benzenesulfonamide (CID 62982169) is 3-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]benzenesulfonamide.
What is the SMILES notation for 3-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]benzenesulfonamide?
The canonical SMILES for 3-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]benzenesulfonamide is NS(=O)(=O)c1cccc(CNC2CCN(C3CC3)C2)c1.
What is the InChIKey of 3-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]benzenesulfonamide?
The InChIKey is UUWKJVOHVMYRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c15-20(18,19)14-3-1-2-11(8-14)9-16-12-6-7-17(10-12)13-4-5-13/h1-3,8,12-13,16H,4-7,9-10H2,(H2,15,18,19).
What are the key properties of 3-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]benzenesulfonamide?
3-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]benzenesulfonamide has a molecular weight of 295.41 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]benzenesulfonamide is sourced from PubChem (CID 62982169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).