[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride

C15H25ClN2O4S — CID 119972213

IUPAC[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCCOCCOc1ccc(S(=O)(=O)N2CCC(CN)C2)cc1.Cl
InChIInChI=1S/C15H24N2O4S.ClH/c1-2-20-9-10-21-14-3-5-15(6-4-14)22(18,19)17-8-7-13(11-16)12-17;/h3-6,13H,2,7-12,16H2,1H3;1H
InChIKeyCYLLPQWQAXKBJN-UHFFFAOYSA-N
MW364.90 g/mol
LogP1.49
Rot. Bonds8

About [1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride

[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 119972213) has the molecular formula C15H25ClN2O4S and a molecular weight of 364.90 g/mol. Its IUPAC name is [1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID119972213
Molecular FormulaC15H25ClN2O4S
Molecular Weight364.90 g/mol
Exact Mass364.12
IUPAC Name[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCCOCCOc1ccc(S(=O)(=O)N2CCC(CN)C2)cc1.Cl
InChIInChI=1S/C15H24N2O4S.ClH/c1-2-20-9-10-21-14-3-5-15(6-4-14)22(18,19)17-8-7-13(11-16)12-17;/h3-6,13H,2,7-12,16H2,1H3;1H
InChIKeyCYLLPQWQAXKBJN-UHFFFAOYSA-N
XLogP1.49
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride 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

(3R)-1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962827
[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971933
1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-4-amine
CID 119980269
1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984624
[1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030896
[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62371705
1-(4-propoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959067
[1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777119
[(3S)-1-(3,4-diethoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 125118085
[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971833
[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanamine
CID 55210776
N-methyl-1-[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 63264368

Frequently Asked Questions

What is the IUPAC name of [1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride (CID 119972213) is [1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride is CCOCCOc1ccc(S(=O)(=O)N2CCC(CN)C2)cc1.Cl.
What is the InChIKey of [1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is CYLLPQWQAXKBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S.ClH/c1-2-20-9-10-21-14-3-5-15(6-4-14)22(18,19)17-8-7-13(11-16)12-17;/h3-6,13H,2,7-12,16H2,1H3;1H.
What are the key properties of [1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride?
[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 364.90 g/mol, XLogP of 1.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 119972213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).