1-(4-methoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine

C16H24N2O3S — CID 1121648

IUPAC1-(4-methoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(N3CCCC3)CC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-21-15-4-6-16(7-5-15)22(19,20)18-12-8-14(9-13-18)17-10-2-3-11-17/h4-7,14H,2-3,8-13H2,1H3
InChIKeyAVKBIHOERYAKPW-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.94
Rot. Bonds4

About 1-(4-methoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine

1-(4-methoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine (PubChem CID 1121648) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine
PubChem CID1121648
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name1-(4-methoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(N3CCCC3)CC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-21-15-4-6-16(7-5-15)22(19,20)18-12-8-14(9-13-18)17-10-2-3-11-17/h4-7,14H,2-3,8-13H2,1H3
InChIKeyAVKBIHOERYAKPW-UHFFFAOYSA-N
XLogP1.94
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-((4-Methoxyphenyl)sulfonyl)piperazine
CID 797560
1-[(4-Methoxyphenyl)sulfonyl]-4-methylpiperazine
CID 676048
1,4-Bis[(4-methoxyphenyl)sulfonyl]piperazine
CID 1104493
4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 580300
1-Ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
1-(4-Methoxy-benzenesulfonyl)-2-methyl-piperidine
CID 2843045
4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzene-1-sulfonamide
CID 715058
4-(3-Piperidin-1-ylpropoxy)benzenesulfonamide
CID 70685675
Thiol-arylsulfonamide, 12a
CID 25138246
1-[2-[(2R)-1-[3-(2-(18F)fluoroethoxy)phenyl]sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
CID 168283760
N-cyclohexyl-4-ethoxy-N-methylbenzenesulfonamide
CID 700202
2-[(2,5-Dimethoxyphenyl)sulfonyl]octahydropyrrolo[1,2-a]pyrazine
CID 6466395

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine (CID 1121648) is 1-(4-methoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine is COc1ccc(S(=O)(=O)N2CCC(N3CCCC3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine?
The InChIKey is AVKBIHOERYAKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-21-15-4-6-16(7-5-15)22(19,20)18-12-8-14(9-13-18)17-10-2-3-11-17/h4-7,14H,2-3,8-13H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine?
1-(4-methoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine has a molecular weight of 324.45 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 1121648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).