1-[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]pyrrolidine

C15H22N2O2S — CID 168512260

IUPAC1-[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]pyrrolidine
SMILESO=S(=O)(Cc1ccc(N2CCCC2)cc1)N1CCCC1
InChIInChI=1S/C15H22N2O2S/c18-20(19,17-11-3-4-12-17)13-14-5-7-15(8-6-14)16-9-1-2-10-16/h5-8H,1-4,9-13H2
InChIKeyZBXQSUYROCNDNR-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.21
Rot. Bonds4

About 1-[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]pyrrolidine

1-[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]pyrrolidine (PubChem CID 168512260) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]pyrrolidine
PubChem CID168512260
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]pyrrolidine
SMILESO=S(=O)(Cc1ccc(N2CCCC2)cc1)N1CCCC1
InChIInChI=1S/C15H22N2O2S/c18-20(19,17-11-3-4-12-17)13-14-5-7-15(8-6-14)16-9-1-2-10-16/h5-8H,1-4,9-13H2
InChIKeyZBXQSUYROCNDNR-UHFFFAOYSA-N
XLogP2.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-piperidin-1-ylphenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 92682536
(4-piperidin-1-ylphenyl)methanesulfonyl chloride
CID 117437268
1-ethylsulfonyl-4-(4-piperidin-1-ylphenyl)piperazine
CID 113079021
1-[(4-methylphenyl)methylsulfonyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 30392390
1-[(4-isocyanatophenyl)methylsulfonyl]piperidine
CID 135223101
4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-[(1R)-1-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 97267629
4-(1,4-oxazepan-4-ylsulfonylmethyl)aniline
CID 62987423
1-[(4-nitrophenyl)methylsulfonyl]azetidine
CID 166173328
1-[6-[4-[(4-chlorophenyl)methylsulfonyl]piperazin-1-yl]pyridazin-3-yl]azepane
CID 122335077
1-[6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]pyridazin-3-yl]azepane
CID 122335071
3-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-6-piperidin-1-ylpyridazine
CID 122334779
benzenesulfonic acid;[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]hydrazine
CID 25126038

Frequently Asked Questions

What is the IUPAC name of 1-[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]pyrrolidine?
The IUPAC name of 1-[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]pyrrolidine (CID 168512260) is 1-[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]pyrrolidine.
What is the SMILES notation for 1-[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]pyrrolidine?
The canonical SMILES for 1-[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]pyrrolidine is O=S(=O)(Cc1ccc(N2CCCC2)cc1)N1CCCC1.
What is the InChIKey of 1-[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]pyrrolidine?
The InChIKey is ZBXQSUYROCNDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c18-20(19,17-11-3-4-12-17)13-14-5-7-15(8-6-14)16-9-1-2-10-16/h5-8H,1-4,9-13H2.
What are the key properties of 1-[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]pyrrolidine?
1-[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]pyrrolidine has a molecular weight of 294.42 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]pyrrolidine is sourced from PubChem (CID 168512260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).