(3R)-3-cyclopropyl-1-methylsulfonylpyrrolidine

C8H15NO2S — CID 57246870

IUPAC(3R)-3-cyclopropyl-1-methylsulfonylpyrrolidine
SMILESCS(=O)(=O)N1CC[C@H](C2CC2)C1
InChIInChI=1S/C8H15NO2S/c1-12(10,11)9-5-4-8(6-9)7-2-3-7/h7-8H,2-6H2,1H3/t8-/m0/s1
InChIKeyTXGCVVHKOQJHEE-QMMMGPOBSA-N
MW189.28 g/mol
LogP0.68
Rot. Bonds2

About (3R)-3-cyclopropyl-1-methylsulfonylpyrrolidine

(3R)-3-cyclopropyl-1-methylsulfonylpyrrolidine (PubChem CID 57246870) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is (3R)-3-cyclopropyl-1-methylsulfonylpyrrolidine.

Molecular Properties

Compound Name(3R)-3-cyclopropyl-1-methylsulfonylpyrrolidine
PubChem CID57246870
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name(3R)-3-cyclopropyl-1-methylsulfonylpyrrolidine
SMILESCS(=O)(=O)N1CC[C@H](C2CC2)C1
InChIInChI=1S/C8H15NO2S/c1-12(10,11)9-5-4-8(6-9)7-2-3-7/h7-8H,2-6H2,1H3/t8-/m0/s1
InChIKeyTXGCVVHKOQJHEE-QMMMGPOBSA-N
XLogP0.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyclopropyl-1-methylsulfonylpyrrolidine?
The IUPAC name of (3R)-3-cyclopropyl-1-methylsulfonylpyrrolidine (CID 57246870) is (3R)-3-cyclopropyl-1-methylsulfonylpyrrolidine.
What is the SMILES notation for (3R)-3-cyclopropyl-1-methylsulfonylpyrrolidine?
The canonical SMILES for (3R)-3-cyclopropyl-1-methylsulfonylpyrrolidine is CS(=O)(=O)N1CC[C@H](C2CC2)C1.
What is the InChIKey of (3R)-3-cyclopropyl-1-methylsulfonylpyrrolidine?
The InChIKey is TXGCVVHKOQJHEE-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-12(10,11)9-5-4-8(6-9)7-2-3-7/h7-8H,2-6H2,1H3/t8-/m0/s1.
What are the key properties of (3R)-3-cyclopropyl-1-methylsulfonylpyrrolidine?
(3R)-3-cyclopropyl-1-methylsulfonylpyrrolidine has a molecular weight of 189.28 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyclopropyl-1-methylsulfonylpyrrolidine is sourced from PubChem (CID 57246870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).