3-[3-(4-ethylphenyl)sulfonylpropylamino]pyrrolidine-1-carboximidamide

C16H26N4O2S — CID 70653753

IUPAC3-[3-(4-ethylphenyl)sulfonylpropylamino]pyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(NCCCS(=O)(=O)c2ccc(CC)cc2)C1
InChIInChI=1S/C16H26N4O2S/c1-2-13-4-6-15(7-5-13)23(21,22)11-3-9-19-14-8-10-20(12-14)16(17)18/h4-7,14,19H,2-3,8-12H2,1H3,(H3,17,18)
InChIKeyFWIMYKGCHLFIOB-UHFFFAOYSA-N
MW338.48 g/mol
LogP0.97
Rot. Bonds7

About 3-[3-(4-ethylphenyl)sulfonylpropylamino]pyrrolidine-1-carboximidamide

3-[3-(4-ethylphenyl)sulfonylpropylamino]pyrrolidine-1-carboximidamide (PubChem CID 70653753) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 3-[3-(4-ethylphenyl)sulfonylpropylamino]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name3-[3-(4-ethylphenyl)sulfonylpropylamino]pyrrolidine-1-carboximidamide
PubChem CID70653753
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name3-[3-(4-ethylphenyl)sulfonylpropylamino]pyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(NCCCS(=O)(=O)c2ccc(CC)cc2)C1
InChIInChI=1S/C16H26N4O2S/c1-2-13-4-6-15(7-5-13)23(21,22)11-3-9-19-14-8-10-20(12-14)16(17)18/h4-7,14,19H,2-3,8-12H2,1H3,(H3,17,18)
InChIKeyFWIMYKGCHLFIOB-UHFFFAOYSA-N
XLogP0.97
TPSA99.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-[3-(4-ethylphenyl)sulfonylpropylamino]pyrrolidine-1-carboximidamide 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

3-[3-(4-tert-butylphenyl)sulfonylpropylamino]pyrrolidine-1-carboximidamide
CID 70646051
N-(1-carbamimidoylpiperidin-4-yl)-4-ethylbenzamide
CID 70653799
3-[2-(4-fluorophenyl)sulfonylethylamino]pyrrolidine-1-carboxamide
CID 154783713
(4-ethylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60819285
3-[[1-(4-ethylphenyl)-2,2,2-trifluoroethyl]amino]azetidine-1-carboximidamide
CID 118527422
N-[3-(cyclopropylamino)propyl]-4-ethylbenzenesulfonamide
CID 43598649
N-[3-(4-methylphenyl)sulfonylpropyl]piperidin-4-amine
CID 118527474
ethyl 4-[[N-[3-(benzenesulfonyl)propyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111329658
1-ethyl-4-octylsulfonylbenzene
CID 123657292
4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide
CID 110714982
(3R)-1-carbamimidoyl-N-(4-decylphenyl)piperidine-3-carboxamide
CID 169298692
ethyl 4-[(4-hexylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 84556985

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethylphenyl)sulfonylpropylamino]pyrrolidine-1-carboximidamide?
The IUPAC name of 3-[3-(4-ethylphenyl)sulfonylpropylamino]pyrrolidine-1-carboximidamide (CID 70653753) is 3-[3-(4-ethylphenyl)sulfonylpropylamino]pyrrolidine-1-carboximidamide.
What is the SMILES notation for 3-[3-(4-ethylphenyl)sulfonylpropylamino]pyrrolidine-1-carboximidamide?
The canonical SMILES for 3-[3-(4-ethylphenyl)sulfonylpropylamino]pyrrolidine-1-carboximidamide is [H]/N=C(\N)N1CCC(NCCCS(=O)(=O)c2ccc(CC)cc2)C1.
What is the InChIKey of 3-[3-(4-ethylphenyl)sulfonylpropylamino]pyrrolidine-1-carboximidamide?
The InChIKey is FWIMYKGCHLFIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-2-13-4-6-15(7-5-13)23(21,22)11-3-9-19-14-8-10-20(12-14)16(17)18/h4-7,14,19H,2-3,8-12H2,1H3,(H3,17,18).
What are the key properties of 3-[3-(4-ethylphenyl)sulfonylpropylamino]pyrrolidine-1-carboximidamide?
3-[3-(4-ethylphenyl)sulfonylpropylamino]pyrrolidine-1-carboximidamide has a molecular weight of 338.48 g/mol, XLogP of 0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethylphenyl)sulfonylpropylamino]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 70653753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).