1-(4-methyl-3-pyrrolidin-1-ylphenyl)sulfonylpiperidine

C16H24N2O2S — CID 168512938

IUPAC1-(4-methyl-3-pyrrolidin-1-ylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1N1CCCC1
InChIInChI=1S/C16H24N2O2S/c1-14-7-8-15(13-16(14)17-9-5-6-10-17)21(19,20)18-11-3-2-4-12-18/h7-8,13H,2-6,9-12H2,1H3
InChIKeyYADALWYAPOAKLZ-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.77
Rot. Bonds3

About 1-(4-methyl-3-pyrrolidin-1-ylphenyl)sulfonylpiperidine

1-(4-methyl-3-pyrrolidin-1-ylphenyl)sulfonylpiperidine (PubChem CID 168512938) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-(4-methyl-3-pyrrolidin-1-ylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(4-methyl-3-pyrrolidin-1-ylphenyl)sulfonylpiperidine
PubChem CID168512938
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name1-(4-methyl-3-pyrrolidin-1-ylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1N1CCCC1
InChIInChI=1S/C16H24N2O2S/c1-14-7-8-15(13-16(14)17-9-5-6-10-17)21(19,20)18-11-3-2-4-12-18/h7-8,13H,2-6,9-12H2,1H3
InChIKeyYADALWYAPOAKLZ-UHFFFAOYSA-N
XLogP2.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2,5-dimethylpyrrol-1-yl)-4-methylphenyl]sulfonylpiperidine
CID 2359920
1-(2,5-dimethylphenyl)-4-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 650477
1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidine
CID 646959
5-(azepan-1-ylsulfonyl)-2-pyrrolidin-1-ylaniline
CID 28796027
1-(2,5-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 785540
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-chloro-5-piperidin-1-ylsulfonylphenyl)methanone
CID 26877578
2-methyl-4-piperidin-1-ylsulfonylphenol
CID 138059728
2-methyl-5-piperidin-1-ylsulfonylbenzoyl chloride
CID 20982783
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
1-(4-bromo-3-methylphenyl)sulfonylpyrrolidine
CID 4885054
azepan-1-yl-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 2344798
2,7-bis(azepan-1-ylsulfonyl)fluoren-9-one
CID 981056

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-pyrrolidin-1-ylphenyl)sulfonylpiperidine?
The IUPAC name of 1-(4-methyl-3-pyrrolidin-1-ylphenyl)sulfonylpiperidine (CID 168512938) is 1-(4-methyl-3-pyrrolidin-1-ylphenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(4-methyl-3-pyrrolidin-1-ylphenyl)sulfonylpiperidine?
The canonical SMILES for 1-(4-methyl-3-pyrrolidin-1-ylphenyl)sulfonylpiperidine is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1N1CCCC1.
What is the InChIKey of 1-(4-methyl-3-pyrrolidin-1-ylphenyl)sulfonylpiperidine?
The InChIKey is YADALWYAPOAKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-14-7-8-15(13-16(14)17-9-5-6-10-17)21(19,20)18-11-3-2-4-12-18/h7-8,13H,2-6,9-12H2,1H3.
What are the key properties of 1-(4-methyl-3-pyrrolidin-1-ylphenyl)sulfonylpiperidine?
1-(4-methyl-3-pyrrolidin-1-ylphenyl)sulfonylpiperidine has a molecular weight of 308.45 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-pyrrolidin-1-ylphenyl)sulfonylpiperidine is sourced from PubChem (CID 168512938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).