(2R)-1-methylsulfonyl-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidine

C12H20N2O2S — CID 14730314

IUPAC(2R)-1-methylsulfonyl-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidine
SMILESCS(=O)(=O)N1CCC[C@@H]1C#CCN1CCCC1
InChIInChI=1S/C12H20N2O2S/c1-17(15,16)14-11-5-7-12(14)6-4-10-13-8-2-3-9-13/h12H,2-3,5,7-11H2,1H3/t12-/m0/s1
InChIKeyQBSXRZSIPNJDKV-LBPRGKRZSA-N
MW256.37 g/mol
LogP0.51
Rot. Bonds2

About (2R)-1-methylsulfonyl-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidine

(2R)-1-methylsulfonyl-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidine (PubChem CID 14730314) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is (2R)-1-methylsulfonyl-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-1-methylsulfonyl-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidine
PubChem CID14730314
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name(2R)-1-methylsulfonyl-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidine
SMILESCS(=O)(=O)N1CCC[C@@H]1C#CCN1CCCC1
InChIInChI=1S/C12H20N2O2S/c1-17(15,16)14-11-5-7-12(14)6-4-10-13-8-2-3-9-13/h12H,2-3,5,7-11H2,1H3/t12-/m0/s1
InChIKeyQBSXRZSIPNJDKV-LBPRGKRZSA-N
XLogP0.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-methylsulfonyl-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidine;hydrochloride
CID 14730315
N-methylsulfonyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)methanesulfonamide
CID 14025456
(2S)-1-methylsulfonyl-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidine;hydrochloride
CID 14730313
N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)methanesulfonamide
CID 14025454
1-Methylsulfonyl-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidine
CID 14730311
(2S)-1-methylsulfonyl-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidine
CID 14730312
2-Methyl-1-methylsulfonylpyrrolidine;1-methylpyrrolidine
CID 158160729
(2R)-1-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 52802577
(2S)-1-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 52802579
1-Methylsulfonyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 60606270

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methylsulfonyl-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidine?
The IUPAC name of (2R)-1-methylsulfonyl-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidine (CID 14730314) is (2R)-1-methylsulfonyl-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidine.
What is the SMILES notation for (2R)-1-methylsulfonyl-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidine?
The canonical SMILES for (2R)-1-methylsulfonyl-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidine is CS(=O)(=O)N1CCC[C@@H]1C#CCN1CCCC1.
What is the InChIKey of (2R)-1-methylsulfonyl-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidine?
The InChIKey is QBSXRZSIPNJDKV-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-17(15,16)14-11-5-7-12(14)6-4-10-13-8-2-3-9-13/h12H,2-3,5,7-11H2,1H3/t12-/m0/s1.
What are the key properties of (2R)-1-methylsulfonyl-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidine?
(2R)-1-methylsulfonyl-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidine has a molecular weight of 256.37 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methylsulfonyl-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidine is sourced from PubChem (CID 14730314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).