(3R)-1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride

C14H23ClN2O4S — CID 119962827

IUPAC(3R)-1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCCOCCOc1ccc(S(=O)(=O)N2CC[C@@H](N)C2)cc1.Cl
InChIInChI=1S/C14H22N2O4S.ClH/c1-2-19-9-10-20-13-3-5-14(6-4-13)21(17,18)16-8-7-12(15)11-16;/h3-6,12H,2,7-11,15H2,1H3;1H/t12-;/m1./s1
InChIKeyZUJATVWJRVCTSX-UTONKHPSSA-N
MW350.87 g/mol
LogP1.25
Rot. Bonds7

About (3R)-1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride

(3R)-1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride (PubChem CID 119962827) has the molecular formula C14H23ClN2O4S and a molecular weight of 350.87 g/mol. Its IUPAC name is (3R)-1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
PubChem CID119962827
Molecular FormulaC14H23ClN2O4S
Molecular Weight350.87 g/mol
Exact Mass350.11
IUPAC Name(3R)-1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCCOCCOc1ccc(S(=O)(=O)N2CC[C@@H](N)C2)cc1.Cl
InChIInChI=1S/C14H22N2O4S.ClH/c1-2-19-9-10-20-13-3-5-14(6-4-13)21(17,18)16-8-7-12(15)11-16;/h3-6,12H,2,7-11,15H2,1H3;1H/t12-;/m1./s1
InChIKeyZUJATVWJRVCTSX-UTONKHPSSA-N
XLogP1.25
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972213
1-(4-propoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959067
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-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971933
1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride
CID 119959783
1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine
CID 119959192
(3S)-1-(4-ethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993597
(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962425
[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62371705
1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-1,4-diazepane;hydrochloride
CID 119963555
[1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777119

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3R)-1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride (CID 119962827) is (3R)-1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride is CCOCCOc1ccc(S(=O)(=O)N2CC[C@@H](N)C2)cc1.Cl.
What is the InChIKey of (3R)-1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride?
The InChIKey is ZUJATVWJRVCTSX-UTONKHPSSA-N. The full InChI is InChI=1S/C14H22N2O4S.ClH/c1-2-19-9-10-20-13-3-5-14(6-4-13)21(17,18)16-8-7-12(15)11-16;/h3-6,12H,2,7-11,15H2,1H3;1H/t12-;/m1./s1.
What are the key properties of (3R)-1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride?
(3R)-1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride has a molecular weight of 350.87 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119962827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).