N-[3-(4-aminocyclohexyl)oxypropyl]pyrrolidine-1-sulfonamide

C13H27N3O3S — CID 63869663

IUPACN-[3-(4-aminocyclohexyl)oxypropyl]pyrrolidine-1-sulfonamide
SMILESNC1CCC(OCCCNS(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C13H27N3O3S/c14-12-4-6-13(7-5-12)19-11-3-8-15-20(17,18)16-9-1-2-10-16/h12-13,15H,1-11,14H2
InChIKeyOVJFAXPADQADMX-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.59
Rot. Bonds7

About N-[3-(4-aminocyclohexyl)oxypropyl]pyrrolidine-1-sulfonamide

N-[3-(4-aminocyclohexyl)oxypropyl]pyrrolidine-1-sulfonamide (PubChem CID 63869663) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-[3-(4-aminocyclohexyl)oxypropyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-aminocyclohexyl)oxypropyl]pyrrolidine-1-sulfonamide
PubChem CID63869663
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC NameN-[3-(4-aminocyclohexyl)oxypropyl]pyrrolidine-1-sulfonamide
SMILESNC1CCC(OCCCNS(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C13H27N3O3S/c14-12-4-6-13(7-5-12)19-11-3-8-15-20(17,18)16-9-1-2-10-16/h12-13,15H,1-11,14H2
InChIKeyOVJFAXPADQADMX-UHFFFAOYSA-N
XLogP0.59
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(4-aminocyclohexyl)oxypropyl]pyrrolidine-1-sulfonamide 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

N-(3-cyclopentyloxypropyl)azepane-1-sulfonamide
CID 131929466
N-[3-(4-aminocyclohexyl)oxypropyl]cyclopropanesulfonamide
CID 64553496
N-[3-(4-aminocyclohexyl)oxypropyl]cyclohexanesulfonamide
CID 63869838
N-[3-(2-bromoethoxy)propyl]pyrrolidine-1-sulfonamide
CID 106304904
N-[3-(4-aminocyclohexyl)oxypropyl]-2-methylpropane-2-sulfonamide
CID 63870336
N-(3-methoxypropyl)pyrrolidine-1-sulfonamide
CID 110705733
1-(2-cyclopentyloxyethylsulfamoyl)piperidine-4-carboxylic acid
CID 63827325
N-[3-(4-aminocyclohexyl)oxypropyl]-2-propan-2-yloxyethanesulfonamide
CID 79592869
1-amino-4-[2-(sulfamoylamino)ethoxy]cyclohexane
CID 114959357
N-(6-aminohexyl)piperidine-1-sulfonamide
CID 114008123
N-(3-aminopropyl)azepane-1-sulfonamide
CID 28785017
methyl 3-[3-(4-aminocyclohexyl)oxypropylsulfamoyl]propanoate
CID 63869662

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]pyrrolidine-1-sulfonamide (CID 63869663) is N-[3-(4-aminocyclohexyl)oxypropyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[3-(4-aminocyclohexyl)oxypropyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[3-(4-aminocyclohexyl)oxypropyl]pyrrolidine-1-sulfonamide is NC1CCC(OCCCNS(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of N-[3-(4-aminocyclohexyl)oxypropyl]pyrrolidine-1-sulfonamide?
The InChIKey is OVJFAXPADQADMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c14-12-4-6-13(7-5-12)19-11-3-8-15-20(17,18)16-9-1-2-10-16/h12-13,15H,1-11,14H2.
What are the key properties of N-[3-(4-aminocyclohexyl)oxypropyl]pyrrolidine-1-sulfonamide?
N-[3-(4-aminocyclohexyl)oxypropyl]pyrrolidine-1-sulfonamide has a molecular weight of 305.44 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminocyclohexyl)oxypropyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 63869663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).