N-[(1-ethylpyrrolidin-2-yl)methyl]-4-propylbenzenesulfonamide

C16H26N2O2S — CID 4883422

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCC2CCCN2CC)cc1
InChIInChI=1S/C16H26N2O2S/c1-3-6-14-8-10-16(11-9-14)21(19,20)17-13-15-7-5-12-18(15)4-2/h8-11,15,17H,3-7,12-13H2,1-2H3
InChIKeyDTSQKYQMEFDOLV-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.40
Rot. Bonds7

About N-[(1-ethylpyrrolidin-2-yl)methyl]-4-propylbenzenesulfonamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-4-propylbenzenesulfonamide (PubChem CID 4883422) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4-propylbenzenesulfonamide
PubChem CID4883422
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCC2CCCN2CC)cc1
InChIInChI=1S/C16H26N2O2S/c1-3-6-14-8-10-16(11-9-14)21(19,20)17-13-15-7-5-12-18(15)4-2/h8-11,15,17H,3-7,12-13H2,1-2H3
InChIKeyDTSQKYQMEFDOLV-UHFFFAOYSA-N
XLogP2.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-ethylpyrrolidin-2-yl)methyl]-4-propylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzenesulfonamide, N-(3-(dimethylamino)propyl)-4-methyl-
CID 202375
4-[1-(Methylamino)ethyl]benzene-1-sulfonamide
CID 4961836
1-(4-Methylbenzenesulfonyl)piperazine
CID 704295
4''-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-biphenyl-4-sulfonic Acid Ethylamide
CID 23649185
(1S,4S)-2-(4-tert-butylphenylsulfonyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 25192959
4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 3674522
Cyclopentyl{[4-(methylethyl)phenyl]sulfonyl}amine
CID 6469335
4-methyl-N-pentan-2-ylbenzenesulfonamide
CID 3703019
N-cyclooctyl-4-methylbenzenesulfonamide
CID 260972
1-(p-Tosyl)-3,4,4-trimethylimidazolidine
CID 126588
(1S,4S)-2-methyl-5-(4-neopentylphenylsulfonyl)-2,5-diazabicyclo[2.2.1]heptane
CID 46880402
N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 2738507

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-propylbenzenesulfonamide (CID 4883422) is N-[(1-ethylpyrrolidin-2-yl)methyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NCC2CCCN2CC)cc1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-propylbenzenesulfonamide?
The InChIKey is DTSQKYQMEFDOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-6-14-8-10-16(11-9-14)21(19,20)17-13-15-7-5-12-18(15)4-2/h8-11,15,17H,3-7,12-13H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-propylbenzenesulfonamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-propylbenzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 4883422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).