3-methylsulfonyl-1-(pyrrolidin-2-ylmethyl)pyrrolidine

C10H20N2O2S — CID 20581073

IUPAC3-methylsulfonyl-1-(pyrrolidin-2-ylmethyl)pyrrolidine
SMILESCS(=O)(=O)C1CCN(CC2CCCN2)C1
InChIInChI=1S/C10H20N2O2S/c1-15(13,14)10-4-6-12(8-10)7-9-3-2-5-11-9/h9-11H,2-8H2,1H3
InChIKeyRGCJOQYWFXVMSY-UHFFFAOYSA-N
MW232.35 g/mol
LogP-0.14
Rot. Bonds3

About 3-methylsulfonyl-1-(pyrrolidin-2-ylmethyl)pyrrolidine

3-methylsulfonyl-1-(pyrrolidin-2-ylmethyl)pyrrolidine (PubChem CID 20581073) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 3-methylsulfonyl-1-(pyrrolidin-2-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name3-methylsulfonyl-1-(pyrrolidin-2-ylmethyl)pyrrolidine
PubChem CID20581073
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name3-methylsulfonyl-1-(pyrrolidin-2-ylmethyl)pyrrolidine
SMILESCS(=O)(=O)C1CCN(CC2CCCN2)C1
InChIInChI=1S/C10H20N2O2S/c1-15(13,14)10-4-6-12(8-10)7-9-3-2-5-11-9/h9-11H,2-8H2,1H3
InChIKeyRGCJOQYWFXVMSY-UHFFFAOYSA-N
XLogP-0.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-1-(pyrrolidin-2-ylmethyl)pyrrolidine?
The IUPAC name of 3-methylsulfonyl-1-(pyrrolidin-2-ylmethyl)pyrrolidine (CID 20581073) is 3-methylsulfonyl-1-(pyrrolidin-2-ylmethyl)pyrrolidine.
What is the SMILES notation for 3-methylsulfonyl-1-(pyrrolidin-2-ylmethyl)pyrrolidine?
The canonical SMILES for 3-methylsulfonyl-1-(pyrrolidin-2-ylmethyl)pyrrolidine is CS(=O)(=O)C1CCN(CC2CCCN2)C1.
What is the InChIKey of 3-methylsulfonyl-1-(pyrrolidin-2-ylmethyl)pyrrolidine?
The InChIKey is RGCJOQYWFXVMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-15(13,14)10-4-6-12(8-10)7-9-3-2-5-11-9/h9-11H,2-8H2,1H3.
What are the key properties of 3-methylsulfonyl-1-(pyrrolidin-2-ylmethyl)pyrrolidine?
3-methylsulfonyl-1-(pyrrolidin-2-ylmethyl)pyrrolidine has a molecular weight of 232.35 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-1-(pyrrolidin-2-ylmethyl)pyrrolidine is sourced from PubChem (CID 20581073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).