1-(2,5-dimethoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine

C17H26N2O4S — CID 120714214

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC(C3CCCN3)CC2)c1
InChIInChI=1S/C17H26N2O4S/c1-22-14-5-6-16(23-2)17(12-14)24(20,21)19-10-7-13(8-11-19)15-4-3-9-18-15/h5-6,12-13,15,18H,3-4,7-11H2,1-2H3
InChIKeyCRTNWRVGRPYFPJ-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.86
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine

1-(2,5-dimethoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine (PubChem CID 120714214) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
PubChem CID120714214
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC(C3CCCN3)CC2)c1
InChIInChI=1S/C17H26N2O4S/c1-22-14-5-6-16(23-2)17(12-14)24(20,21)19-10-7-13(8-11-19)15-4-3-9-18-15/h5-6,12-13,15,18H,3-4,7-11H2,1-2H3
InChIKeyCRTNWRVGRPYFPJ-UHFFFAOYSA-N
XLogP1.86
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714166
1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 709843
1-(4-methoxy-3-nitrophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714407
1-(2,5-dimethoxyphenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 2982195
4-(2,5-dimethoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 110721462
N-cyclopropyl-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1093344
4-(2,5-dimethoxyphenyl)sulfonyl-7-phenyl-1,4-thiazepane
CID 90629604
4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]sulfonylaniline
CID 2052121
1-(2,5-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714118
4-(2,5-dimethoxyphenyl)sulfonyl-1,4-oxazepane
CID 4987826
(3S,4R)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410107
1-(2,5-dimethoxyphenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62534672

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine (CID 120714214) is 1-(2,5-dimethoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine is COc1ccc(OC)c(S(=O)(=O)N2CCC(C3CCCN3)CC2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine?
The InChIKey is CRTNWRVGRPYFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-22-14-5-6-16(23-2)17(12-14)24(20,21)19-10-7-13(8-11-19)15-4-3-9-18-15/h5-6,12-13,15,18H,3-4,7-11H2,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine?
1-(2,5-dimethoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine has a molecular weight of 354.47 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 120714214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).