(3S)-1-methylsulfonyl-3-propan-2-ylpyrrolidine

C8H17NO2S — CID 57006874

IUPAC(3S)-1-methylsulfonyl-3-propan-2-ylpyrrolidine
SMILESCC(C)[C@@H]1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C8H17NO2S/c1-7(2)8-4-5-9(6-8)12(3,10)11/h7-8H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyBMQFMMKNEDBJIR-MRVPVSSYSA-N
MW191.30 g/mol
LogP0.92
Rot. Bonds2

About (3S)-1-methylsulfonyl-3-propan-2-ylpyrrolidine

(3S)-1-methylsulfonyl-3-propan-2-ylpyrrolidine (PubChem CID 57006874) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is (3S)-1-methylsulfonyl-3-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(3S)-1-methylsulfonyl-3-propan-2-ylpyrrolidine
PubChem CID57006874
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name(3S)-1-methylsulfonyl-3-propan-2-ylpyrrolidine
SMILESCC(C)[C@@H]1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C8H17NO2S/c1-7(2)8-4-5-9(6-8)12(3,10)11/h7-8H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyBMQFMMKNEDBJIR-MRVPVSSYSA-N
XLogP0.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-methylsulfonyl-3-propan-2-ylpyrrolidine?
The IUPAC name of (3S)-1-methylsulfonyl-3-propan-2-ylpyrrolidine (CID 57006874) is (3S)-1-methylsulfonyl-3-propan-2-ylpyrrolidine.
What is the SMILES notation for (3S)-1-methylsulfonyl-3-propan-2-ylpyrrolidine?
The canonical SMILES for (3S)-1-methylsulfonyl-3-propan-2-ylpyrrolidine is CC(C)[C@@H]1CCN(S(C)(=O)=O)C1.
What is the InChIKey of (3S)-1-methylsulfonyl-3-propan-2-ylpyrrolidine?
The InChIKey is BMQFMMKNEDBJIR-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-7(2)8-4-5-9(6-8)12(3,10)11/h7-8H,4-6H2,1-3H3/t8-/m1/s1.
What are the key properties of (3S)-1-methylsulfonyl-3-propan-2-ylpyrrolidine?
(3S)-1-methylsulfonyl-3-propan-2-ylpyrrolidine has a molecular weight of 191.30 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methylsulfonyl-3-propan-2-ylpyrrolidine is sourced from PubChem (CID 57006874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).