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

C10H20N2O2S — CID 52802577

IUPAC(2R)-1-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
SMILESCS(=O)(=O)N1CCC[C@@H]1CN1CCCC1
InChIInChI=1S/C10H20N2O2S/c1-15(13,14)12-8-4-5-10(12)9-11-6-2-3-7-11/h10H,2-9H2,1H3/t10-/m1/s1
InChIKeyFZYORAQTCYEMQU-SNVBAGLBSA-N
MW232.35 g/mol
LogP0.51
Rot. Bonds3

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

(2R)-1-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine (PubChem CID 52802577) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is (2R)-1-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-1-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
PubChem CID52802577
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name(2R)-1-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
SMILESCS(=O)(=O)N1CCC[C@@H]1CN1CCCC1
InChIInChI=1S/C10H20N2O2S/c1-15(13,14)12-8-4-5-10(12)9-11-6-2-3-7-11/h10H,2-9H2,1H3/t10-/m1/s1
InChIKeyFZYORAQTCYEMQU-SNVBAGLBSA-N
XLogP0.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-methylsulfonyl-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidine;hydrochloride
CID 14730315
(2S)-1-methylsulfonyl-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidine;hydrochloride
CID 14730313
2-Cyclohexyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide
CID 51359920
1-Methylsulfonyl-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidine
CID 14730311
2-Butyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide
CID 51359861
N'-(2-cyclopentyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 51360716
2-Cyclopentyl-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide
CID 51360717
(2S)-1-methylsulfonyl-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidine
CID 14730312
(2R)-1-methylsulfonyl-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidine
CID 14730314
N-[(4-fluoro-1-propan-2-ylpyrrolidin-2-yl)methyl]-N-methylmethanesulfonamide
CID 70939942
N-[(1-butan-2-yl-4-fluoropyrrolidin-2-yl)methyl]-N-ethylmethanesulfonamide
CID 70939962
N-ethyl-N-[(4-fluoro-1-propan-2-ylpyrrolidin-2-yl)methyl]methanesulfonamide
CID 89901762

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine?
The IUPAC name of (2R)-1-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine (CID 52802577) is (2R)-1-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine.
What is the SMILES notation for (2R)-1-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine?
The canonical SMILES for (2R)-1-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine is CS(=O)(=O)N1CCC[C@@H]1CN1CCCC1.
What is the InChIKey of (2R)-1-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine?
The InChIKey is FZYORAQTCYEMQU-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-15(13,14)12-8-4-5-10(12)9-11-6-2-3-7-11/h10H,2-9H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-1-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine?
(2R)-1-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine has a molecular weight of 232.35 g/mol, XLogP of 0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine is sourced from PubChem (CID 52802577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).