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

C12H19NO2S2 — CID 95628123

IUPAC(2S)-1-(2-methylsulfonylethyl)-2-(5-methylthiophen-2-yl)pyrrolidine
SMILESCc1ccc([C@@H]2CCCN2CCS(C)(=O)=O)s1
InChIInChI=1S/C12H19NO2S2/c1-10-5-6-12(16-10)11-4-3-7-13(11)8-9-17(2,14)15/h5-6,11H,3-4,7-9H2,1-2H3/t11-/m0/s1
InChIKeyVZKZMXJYINTSHS-NSHDSACASA-N
MW273.42 g/mol
LogP2.24
Rot. Bonds4

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

(2S)-1-(2-methylsulfonylethyl)-2-(5-methylthiophen-2-yl)pyrrolidine (PubChem CID 95628123) has the molecular formula C12H19NO2S2 and a molecular weight of 273.42 g/mol. Its IUPAC name is (2S)-1-(2-methylsulfonylethyl)-2-(5-methylthiophen-2-yl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-(2-methylsulfonylethyl)-2-(5-methylthiophen-2-yl)pyrrolidine
PubChem CID95628123
Molecular FormulaC12H19NO2S2
Molecular Weight273.42 g/mol
Exact Mass273.09
IUPAC Name(2S)-1-(2-methylsulfonylethyl)-2-(5-methylthiophen-2-yl)pyrrolidine
SMILESCc1ccc([C@@H]2CCCN2CCS(C)(=O)=O)s1
InChIInChI=1S/C12H19NO2S2/c1-10-5-6-12(16-10)11-4-3-7-13(11)8-9-17(2,14)15/h5-6,11H,3-4,7-9H2,1-2H3/t11-/m0/s1
InChIKeyVZKZMXJYINTSHS-NSHDSACASA-N
XLogP2.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 95628126
N-(2-bromophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide
CID 86953240
2-(5-methylthiophen-2-yl)-1-[2-(2-nitrophenoxy)ethyl]pyrrolidine
CID 86953318
3-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 86953434
methyl 4-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]benzoate
CID 86953310
1-[(3-methylpyrrolidin-3-yl)methyl]-2-(5-methylthiophen-2-yl)pyrrolidine
CID 120900015
3-[2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]ethoxy]benzonitrile
CID 86953423
N-(3-cyanophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide
CID 86953269
2-(5-methylthiophen-2-yl)-1-[(3-nitrophenyl)methyl]pyrrolidine
CID 86953336
(2R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(5-methylthiophen-2-yl)azepane
CID 92878035
1-[(2-methylpropan-2-yl)oxy]-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propan-2-ol
CID 111336722
2-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole
CID 86953341

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methylsulfonylethyl)-2-(5-methylthiophen-2-yl)pyrrolidine?
The IUPAC name of (2S)-1-(2-methylsulfonylethyl)-2-(5-methylthiophen-2-yl)pyrrolidine (CID 95628123) is (2S)-1-(2-methylsulfonylethyl)-2-(5-methylthiophen-2-yl)pyrrolidine.
What is the SMILES notation for (2S)-1-(2-methylsulfonylethyl)-2-(5-methylthiophen-2-yl)pyrrolidine?
The canonical SMILES for (2S)-1-(2-methylsulfonylethyl)-2-(5-methylthiophen-2-yl)pyrrolidine is Cc1ccc([C@@H]2CCCN2CCS(C)(=O)=O)s1.
What is the InChIKey of (2S)-1-(2-methylsulfonylethyl)-2-(5-methylthiophen-2-yl)pyrrolidine?
The InChIKey is VZKZMXJYINTSHS-NSHDSACASA-N. The full InChI is InChI=1S/C12H19NO2S2/c1-10-5-6-12(16-10)11-4-3-7-13(11)8-9-17(2,14)15/h5-6,11H,3-4,7-9H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-1-(2-methylsulfonylethyl)-2-(5-methylthiophen-2-yl)pyrrolidine?
(2S)-1-(2-methylsulfonylethyl)-2-(5-methylthiophen-2-yl)pyrrolidine has a molecular weight of 273.42 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methylsulfonylethyl)-2-(5-methylthiophen-2-yl)pyrrolidine is sourced from PubChem (CID 95628123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).