(2R,4S)-2-methyl-4-methylsulfonyl-1-propan-2-ylpyrrolidine

C9H19NO2S — CID 67992920

IUPAC(2R,4S)-2-methyl-4-methylsulfonyl-1-propan-2-ylpyrrolidine
SMILESCC(C)N1C[C@@H](S(C)(=O)=O)C[C@H]1C
InChIInChI=1S/C9H19NO2S/c1-7(2)10-6-9(5-8(10)3)13(4,11)12/h7-9H,5-6H2,1-4H3/t8-,9+/m1/s1
InChIKeyUJMCZYQRFRMYTH-BDAKNGLRSA-N
MW205.32 g/mol
LogP0.90
Rot. Bonds2

About (2R,4S)-2-methyl-4-methylsulfonyl-1-propan-2-ylpyrrolidine

(2R,4S)-2-methyl-4-methylsulfonyl-1-propan-2-ylpyrrolidine (PubChem CID 67992920) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is (2R,4S)-2-methyl-4-methylsulfonyl-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(2R,4S)-2-methyl-4-methylsulfonyl-1-propan-2-ylpyrrolidine
PubChem CID67992920
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name(2R,4S)-2-methyl-4-methylsulfonyl-1-propan-2-ylpyrrolidine
SMILESCC(C)N1C[C@@H](S(C)(=O)=O)C[C@H]1C
InChIInChI=1S/C9H19NO2S/c1-7(2)10-6-9(5-8(10)3)13(4,11)12/h7-9H,5-6H2,1-4H3/t8-,9+/m1/s1
InChIKeyUJMCZYQRFRMYTH-BDAKNGLRSA-N
XLogP0.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-methyl-4-methylsulfonyl-1-propan-2-ylpyrrolidine?
The IUPAC name of (2R,4S)-2-methyl-4-methylsulfonyl-1-propan-2-ylpyrrolidine (CID 67992920) is (2R,4S)-2-methyl-4-methylsulfonyl-1-propan-2-ylpyrrolidine.
What is the SMILES notation for (2R,4S)-2-methyl-4-methylsulfonyl-1-propan-2-ylpyrrolidine?
The canonical SMILES for (2R,4S)-2-methyl-4-methylsulfonyl-1-propan-2-ylpyrrolidine is CC(C)N1C[C@@H](S(C)(=O)=O)C[C@H]1C.
What is the InChIKey of (2R,4S)-2-methyl-4-methylsulfonyl-1-propan-2-ylpyrrolidine?
The InChIKey is UJMCZYQRFRMYTH-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-7(2)10-6-9(5-8(10)3)13(4,11)12/h7-9H,5-6H2,1-4H3/t8-,9+/m1/s1.
What are the key properties of (2R,4S)-2-methyl-4-methylsulfonyl-1-propan-2-ylpyrrolidine?
(2R,4S)-2-methyl-4-methylsulfonyl-1-propan-2-ylpyrrolidine has a molecular weight of 205.32 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-methyl-4-methylsulfonyl-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 67992920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).