(2S)-1-methylsulfonyl-2-(5-methylthiophen-2-yl)pyrrolidine

C10H15NO2S2 — CID 95628139

IUPAC(2S)-1-methylsulfonyl-2-(5-methylthiophen-2-yl)pyrrolidine
SMILESCc1ccc([C@@H]2CCCN2S(C)(=O)=O)s1
InChIInChI=1S/C10H15NO2S2/c1-8-5-6-10(14-8)9-4-3-7-11(9)15(2,12)13/h5-6,9H,3-4,7H2,1-2H3/t9-/m0/s1
InChIKeyURQYQPVLVVYMDY-VIFPVBQESA-N
MW245.37 g/mol
LogP2.15
Rot. Bonds2

About (2S)-1-methylsulfonyl-2-(5-methylthiophen-2-yl)pyrrolidine

(2S)-1-methylsulfonyl-2-(5-methylthiophen-2-yl)pyrrolidine (PubChem CID 95628139) has the molecular formula C10H15NO2S2 and a molecular weight of 245.37 g/mol. Its IUPAC name is (2S)-1-methylsulfonyl-2-(5-methylthiophen-2-yl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-methylsulfonyl-2-(5-methylthiophen-2-yl)pyrrolidine
PubChem CID95628139
Molecular FormulaC10H15NO2S2
Molecular Weight245.37 g/mol
Exact Mass245.05
IUPAC Name(2S)-1-methylsulfonyl-2-(5-methylthiophen-2-yl)pyrrolidine
SMILESCc1ccc([C@@H]2CCCN2S(C)(=O)=O)s1
InChIInChI=1S/C10H15NO2S2/c1-8-5-6-10(14-8)9-4-3-7-11(9)15(2,12)13/h5-6,9H,3-4,7H2,1-2H3/t9-/m0/s1
InChIKeyURQYQPVLVVYMDY-VIFPVBQESA-N
XLogP2.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methylsulfonyl-2-(5-methylthiophen-2-yl)pyrrolidine?
The IUPAC name of (2S)-1-methylsulfonyl-2-(5-methylthiophen-2-yl)pyrrolidine (CID 95628139) is (2S)-1-methylsulfonyl-2-(5-methylthiophen-2-yl)pyrrolidine.
What is the SMILES notation for (2S)-1-methylsulfonyl-2-(5-methylthiophen-2-yl)pyrrolidine?
The canonical SMILES for (2S)-1-methylsulfonyl-2-(5-methylthiophen-2-yl)pyrrolidine is Cc1ccc([C@@H]2CCCN2S(C)(=O)=O)s1.
What is the InChIKey of (2S)-1-methylsulfonyl-2-(5-methylthiophen-2-yl)pyrrolidine?
The InChIKey is URQYQPVLVVYMDY-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15NO2S2/c1-8-5-6-10(14-8)9-4-3-7-11(9)15(2,12)13/h5-6,9H,3-4,7H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-1-methylsulfonyl-2-(5-methylthiophen-2-yl)pyrrolidine?
(2S)-1-methylsulfonyl-2-(5-methylthiophen-2-yl)pyrrolidine has a molecular weight of 245.37 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methylsulfonyl-2-(5-methylthiophen-2-yl)pyrrolidine is sourced from PubChem (CID 95628139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).