1-(2-methoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride

C16H25ClN2O3S — CID 120714166

IUPAC1-(2-methoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
SMILESCOc1ccccc1S(=O)(=O)N1CCC(C2CCCN2)CC1.Cl
InChIInChI=1S/C16H24N2O3S.ClH/c1-21-15-6-2-3-7-16(15)22(19,20)18-11-8-13(9-12-18)14-5-4-10-17-14;/h2-3,6-7,13-14,17H,4-5,8-12H2,1H3;1H
InChIKeyAFKHSRMARFVOOB-UHFFFAOYSA-N
MW360.91 g/mol
LogP2.27
Rot. Bonds4

About 1-(2-methoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride

1-(2-methoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride (PubChem CID 120714166) has the molecular formula C16H25ClN2O3S and a molecular weight of 360.91 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-(2-methoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
PubChem CID120714166
Molecular FormulaC16H25ClN2O3S
Molecular Weight360.91 g/mol
Exact Mass360.13
IUPAC Name1-(2-methoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
SMILESCOc1ccccc1S(=O)(=O)N1CCC(C2CCCN2)CC1.Cl
InChIInChI=1S/C16H24N2O3S.ClH/c1-21-15-6-2-3-7-16(15)22(19,20)18-11-8-13(9-12-18)14-5-4-10-17-14;/h2-3,6-7,13-14,17H,4-5,8-12H2,1H3;1H
InChIKeyAFKHSRMARFVOOB-UHFFFAOYSA-N
XLogP2.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714214
1-(4-methoxy-3-nitrophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714407
hydron;1-(2-methoxyphenyl)sulfonylpiperazine;chloride
CID 51066589
N-[[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990650
1-(3-methylphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714337
1-(2-bromo-4-methylphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714383
1-(2-chloro-4-fluorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714306
6-(4-methoxyisoquinolin-5-yl)sulfonyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 118488007
3-methyl-8-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylquinoline;hydrochloride
CID 120714217
1-(2,5-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714118
[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972182
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714348

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride?
The IUPAC name of 1-(2-methoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride (CID 120714166) is 1-(2-methoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride.
What is the SMILES notation for 1-(2-methoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride?
The canonical SMILES for 1-(2-methoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride is COc1ccccc1S(=O)(=O)N1CCC(C2CCCN2)CC1.Cl.
What is the InChIKey of 1-(2-methoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride?
The InChIKey is AFKHSRMARFVOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S.ClH/c1-21-15-6-2-3-7-16(15)22(19,20)18-11-8-13(9-12-18)14-5-4-10-17-14;/h2-3,6-7,13-14,17H,4-5,8-12H2,1H3;1H.
What are the key properties of 1-(2-methoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride?
1-(2-methoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride has a molecular weight of 360.91 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride is sourced from PubChem (CID 120714166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).