1-[2-[(2R)-1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine

C18H27BrN2O2S — CID 10573876

IUPAC1-[2-[(2R)-1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
SMILESCC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C18H27BrN2O2S/c1-15-7-11-20(12-8-15)13-9-17-5-3-10-21(17)24(22,23)18-6-2-4-16(19)14-18/h2,4,6,14-15,17H,3,5,7-13H2,1H3/t17-/m1/s1
InChIKeyJBIWUVRCMUOUNK-QGZVFWFLSA-N
MW415.40 g/mol
LogP3.72
Rot. Bonds5

About 1-[2-[(2R)-1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine

1-[2-[(2R)-1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine (PubChem CID 10573876) has the molecular formula C18H27BrN2O2S and a molecular weight of 415.40 g/mol. Its IUPAC name is 1-[2-[(2R)-1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[2-[(2R)-1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
PubChem CID10573876
Molecular FormulaC18H27BrN2O2S
Molecular Weight415.40 g/mol
Exact Mass414.10
IUPAC Name1-[2-[(2R)-1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
SMILESCC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C18H27BrN2O2S/c1-15-7-11-20(12-8-15)13-9-17-5-3-10-21(17)24(22,23)18-6-2-4-16(19)14-18/h2,4,6,14-15,17H,3,5,7-13H2,1H3/t17-/m1/s1
InChIKeyJBIWUVRCMUOUNK-QGZVFWFLSA-N
XLogP3.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(2R)-1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine?
The IUPAC name of 1-[2-[(2R)-1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine (CID 10573876) is 1-[2-[(2R)-1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine.
What is the SMILES notation for 1-[2-[(2R)-1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine?
The canonical SMILES for 1-[2-[(2R)-1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine is CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of 1-[2-[(2R)-1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine?
The InChIKey is JBIWUVRCMUOUNK-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H27BrN2O2S/c1-15-7-11-20(12-8-15)13-9-17-5-3-10-21(17)24(22,23)18-6-2-4-16(19)14-18/h2,4,6,14-15,17H,3,5,7-13H2,1H3/t17-/m1/s1.
What are the key properties of 1-[2-[(2R)-1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine?
1-[2-[(2R)-1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine has a molecular weight of 415.40 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine is sourced from PubChem (CID 10573876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).