1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride

C18H29ClN2O4S — CID 120714348

IUPAC1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
SMILESCOCCOc1ccc(S(=O)(=O)N2CCC(C3CCCN3)CC2)cc1.Cl
InChIInChI=1S/C18H28N2O4S.ClH/c1-23-13-14-24-16-4-6-17(7-5-16)25(21,22)20-11-8-15(9-12-20)18-3-2-10-19-18;/h4-7,15,18-19H,2-3,8-14H2,1H3;1H
InChIKeyKUZPWERVWVAFOX-UHFFFAOYSA-N
MW404.96 g/mol
LogP2.29
Rot. Bonds7

About 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride

1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride (PubChem CID 120714348) has the molecular formula C18H29ClN2O4S and a molecular weight of 404.96 g/mol. Its IUPAC name is 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
PubChem CID120714348
Molecular FormulaC18H29ClN2O4S
Molecular Weight404.96 g/mol
Exact Mass404.15
IUPAC Name1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
SMILESCOCCOc1ccc(S(=O)(=O)N2CCC(C3CCCN3)CC2)cc1.Cl
InChIInChI=1S/C18H28N2O4S.ClH/c1-23-13-14-24-16-4-6-17(7-5-16)25(21,22)20-11-8-15(9-12-20)18-3-2-10-19-18;/h4-7,15,18-19H,2-3,8-14H2,1H3;1H
InChIKeyKUZPWERVWVAFOX-UHFFFAOYSA-N
XLogP2.29
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.96
LogP ≤ 52.29
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-[1-[4-(2-methoxyethoxy)phenyl]sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978169
(3R)-1-[4-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-3-ol
CID 66291408
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-3-amine
CID 120715200
1-(3-methylphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714337
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779581
1-(3,4-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714288
2-methyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 120714185
1-(2,5-dimethoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714214
1-(2-methoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714166
methyl 4-[4-(2-methoxyethoxy)phenyl]sulfonyl-1,4-diazepane-1-carboxylate
CID 110799109
1-(4-propoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959067
4-(2-methoxyethoxy)-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 120726698

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride?
The IUPAC name of 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride (CID 120714348) is 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride.
What is the SMILES notation for 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride?
The canonical SMILES for 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride is COCCOc1ccc(S(=O)(=O)N2CCC(C3CCCN3)CC2)cc1.Cl.
What is the InChIKey of 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride?
The InChIKey is KUZPWERVWVAFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S.ClH/c1-23-13-14-24-16-4-6-17(7-5-16)25(21,22)20-11-8-15(9-12-20)18-3-2-10-19-18;/h4-7,15,18-19H,2-3,8-14H2,1H3;1H.
What are the key properties of 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride?
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride has a molecular weight of 404.96 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride is sourced from PubChem (CID 120714348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).