N-(2-ethylsulfonylphenyl)-N-propylpyrrolidin-3-amine

C15H24N2O2S — CID 63304180

IUPACN-(2-ethylsulfonylphenyl)-N-propylpyrrolidin-3-amine
SMILESCCCN(c1ccccc1S(=O)(=O)CC)C1CCNC1
InChIInChI=1S/C15H24N2O2S/c1-3-11-17(13-9-10-16-12-13)14-7-5-6-8-15(14)20(18,19)4-2/h5-8,13,16H,3-4,9-12H2,1-2H3
InChIKeyIBBLFJVWESIJGC-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.06
Rot. Bonds6

About N-(2-ethylsulfonylphenyl)-N-propylpyrrolidin-3-amine

N-(2-ethylsulfonylphenyl)-N-propylpyrrolidin-3-amine (PubChem CID 63304180) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-(2-ethylsulfonylphenyl)-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2-ethylsulfonylphenyl)-N-propylpyrrolidin-3-amine
PubChem CID63304180
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-(2-ethylsulfonylphenyl)-N-propylpyrrolidin-3-amine
SMILESCCCN(c1ccccc1S(=O)(=O)CC)C1CCNC1
InChIInChI=1S/C15H24N2O2S/c1-3-11-17(13-9-10-16-12-13)14-7-5-6-8-15(14)20(18,19)4-2/h5-8,13,16H,3-4,9-12H2,1-2H3
InChIKeyIBBLFJVWESIJGC-UHFFFAOYSA-N
XLogP2.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(difluoromethylsulfonyl)phenyl]-N-propylpyrrolidin-3-amine
CID 63304136
N-methyl-2-[piperidin-3-yl(propyl)amino]benzenesulfonamide
CID 63636485
2-[propyl(pyrrolidin-3-yl)amino]benzamide
CID 63304357
2-[azetidin-3-yl(propyl)amino]-N-methylbenzenesulfonamide
CID 66215341
N-(2-chloroethyl)-N-cyclohexyl-2-ethylsulfonylaniline
CID 63388274
N'-cyclohexyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine
CID 63765668
2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976534
N-ethyl-N-(4-ethylsulfonylphenyl)pyrrolidin-3-amine
CID 63300108
3-methyl-N-propyl-N-pyrrolidin-3-ylquinoxalin-2-amine
CID 63304047
1,1-dioxo-N-propyl-N-pyrrolidin-3-yl-1,2-benzothiazol-3-amine
CID 63304311
N-methyl-2-[methyl(pyrrolidin-3-yl)amino]benzenesulfonamide
CID 63301799
methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 119976798

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylphenyl)-N-propylpyrrolidin-3-amine?
The IUPAC name of N-(2-ethylsulfonylphenyl)-N-propylpyrrolidin-3-amine (CID 63304180) is N-(2-ethylsulfonylphenyl)-N-propylpyrrolidin-3-amine.
What is the SMILES notation for N-(2-ethylsulfonylphenyl)-N-propylpyrrolidin-3-amine?
The canonical SMILES for N-(2-ethylsulfonylphenyl)-N-propylpyrrolidin-3-amine is CCCN(c1ccccc1S(=O)(=O)CC)C1CCNC1.
What is the InChIKey of N-(2-ethylsulfonylphenyl)-N-propylpyrrolidin-3-amine?
The InChIKey is IBBLFJVWESIJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-11-17(13-9-10-16-12-13)14-7-5-6-8-15(14)20(18,19)4-2/h5-8,13,16H,3-4,9-12H2,1-2H3.
What are the key properties of N-(2-ethylsulfonylphenyl)-N-propylpyrrolidin-3-amine?
N-(2-ethylsulfonylphenyl)-N-propylpyrrolidin-3-amine has a molecular weight of 296.44 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylphenyl)-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 63304180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).