4-propylsulfonyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]aniline

C15H24N2O2S — CID 104973347

IUPAC4-propylsulfonyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]aniline
SMILESCCCS(=O)(=O)c1ccc(NCC[C@@H]2CCCN2)cc1
InChIInChI=1S/C15H24N2O2S/c1-2-12-20(18,19)15-7-5-14(6-8-15)17-11-9-13-4-3-10-16-13/h5-8,13,16-17H,2-4,9-12H2,1H3/t13-/m0/s1
InChIKeyZPRWQGUCGGPJRT-ZDUSSCGKSA-N
MW296.44 g/mol
LogP2.42
Rot. Bonds7

About 4-propylsulfonyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]aniline

4-propylsulfonyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]aniline (PubChem CID 104973347) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-propylsulfonyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]aniline.

Molecular Properties

Compound Name4-propylsulfonyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]aniline
PubChem CID104973347
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name4-propylsulfonyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]aniline
SMILESCCCS(=O)(=O)c1ccc(NCC[C@@H]2CCCN2)cc1
InChIInChI=1S/C15H24N2O2S/c1-2-12-20(18,19)15-7-5-14(6-8-15)17-11-9-13-4-3-10-16-13/h5-8,13,16-17H,2-4,9-12H2,1H3/t13-/m0/s1
InChIKeyZPRWQGUCGGPJRT-ZDUSSCGKSA-N
XLogP2.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-(2-pyrrolidin-2-ylethylamino)benzenesulfonamide
CID 114794395
N-(2-piperidin-3-ylethyl)-4-propylsulfonylaniline
CID 63629751
2-methyl-N-(4-propylsulfonylphenyl)piperidin-3-amine
CID 114695397
2-[3-(4-fluorophenyl)sulfonylpropyl]pyrrolidine
CID 112741662
4-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972462
N-butyl-4-propylsulfonylaniline
CID 43453437
4-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723443
N-(2-chloroethyl)-4-propylsulfonylaniline
CID 65030404
4-ethylsulfanyl-N-(2-piperidin-2-ylethyl)aniline
CID 115211012
N-cyclopropyl-3-(4-propylsulfonylanilino)propanamide
CID 79378081
4-methyl-3-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]aniline
CID 104973157
N-(2-piperidin-2-ylethyl)propane-1-sulfonamide
CID 24703797

Frequently Asked Questions

What is the IUPAC name of 4-propylsulfonyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]aniline?
The IUPAC name of 4-propylsulfonyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]aniline (CID 104973347) is 4-propylsulfonyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]aniline.
What is the SMILES notation for 4-propylsulfonyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]aniline?
The canonical SMILES for 4-propylsulfonyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]aniline is CCCS(=O)(=O)c1ccc(NCC[C@@H]2CCCN2)cc1.
What is the InChIKey of 4-propylsulfonyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]aniline?
The InChIKey is ZPRWQGUCGGPJRT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-2-12-20(18,19)15-7-5-14(6-8-15)17-11-9-13-4-3-10-16-13/h5-8,13,16-17H,2-4,9-12H2,1H3/t13-/m0/s1.
What are the key properties of 4-propylsulfonyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]aniline?
4-propylsulfonyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]aniline has a molecular weight of 296.44 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylsulfonyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]aniline is sourced from PubChem (CID 104973347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).