1-methylsulfonyl-4-pyrrolidin-3-ylpiperidine

C10H20N2O2S — CID 90488137

IUPAC1-methylsulfonyl-4-pyrrolidin-3-ylpiperidine
SMILESCS(=O)(=O)N1CCC(C2CCNC2)CC1
InChIInChI=1S/C10H20N2O2S/c1-15(13,14)12-6-3-9(4-7-12)10-2-5-11-8-10/h9-11H,2-8H2,1H3
InChIKeySYEAQXCQFPNGRS-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.27
Rot. Bonds2

About 1-methylsulfonyl-4-pyrrolidin-3-ylpiperidine

1-methylsulfonyl-4-pyrrolidin-3-ylpiperidine (PubChem CID 90488137) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-methylsulfonyl-4-pyrrolidin-3-ylpiperidine.

Molecular Properties

Compound Name1-methylsulfonyl-4-pyrrolidin-3-ylpiperidine
PubChem CID90488137
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name1-methylsulfonyl-4-pyrrolidin-3-ylpiperidine
SMILESCS(=O)(=O)N1CCC(C2CCNC2)CC1
InChIInChI=1S/C10H20N2O2S/c1-15(13,14)12-6-3-9(4-7-12)10-2-5-11-8-10/h9-11H,2-8H2,1H3
InChIKeySYEAQXCQFPNGRS-UHFFFAOYSA-N
XLogP0.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methylsulfonyl-4-pyrrolidin-3-ylpiperidine 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-methylsulfonyl-4-pyrrolidin-3-ylpiperidine?
The IUPAC name of 1-methylsulfonyl-4-pyrrolidin-3-ylpiperidine (CID 90488137) is 1-methylsulfonyl-4-pyrrolidin-3-ylpiperidine.
What is the SMILES notation for 1-methylsulfonyl-4-pyrrolidin-3-ylpiperidine?
The canonical SMILES for 1-methylsulfonyl-4-pyrrolidin-3-ylpiperidine is CS(=O)(=O)N1CCC(C2CCNC2)CC1.
What is the InChIKey of 1-methylsulfonyl-4-pyrrolidin-3-ylpiperidine?
The InChIKey is SYEAQXCQFPNGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-15(13,14)12-6-3-9(4-7-12)10-2-5-11-8-10/h9-11H,2-8H2,1H3.
What are the key properties of 1-methylsulfonyl-4-pyrrolidin-3-ylpiperidine?
1-methylsulfonyl-4-pyrrolidin-3-ylpiperidine has a molecular weight of 232.35 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-4-pyrrolidin-3-ylpiperidine is sourced from PubChem (CID 90488137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).