ethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine

C14H23NO2S — CID 156877690

IUPACethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCC.Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C)cc1
InChIInChI=1S/C12H17NO2S.C2H6/c1-10-5-7-12(8-6-10)16(14,15)13-9-3-4-11(13)2;1-2/h5-8,11H,3-4,9H2,1-2H3;1-2H3/t11-;/m0./s1
InChIKeyMJNDBKBMQVIPQO-MERQFXBCSA-N
MW269.41 g/mol
LogP3.19
Rot. Bonds2

About ethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine

ethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine (PubChem CID 156877690) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is ethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Nameethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
PubChem CID156877690
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Nameethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESCC.Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C)cc1
InChIInChI=1S/C12H17NO2S.C2H6/c1-10-5-7-12(8-6-10)16(14,15)13-9-3-4-11(13)2;1-2/h5-8,11H,3-4,9H2,1-2H3;1-2H3/t11-;/m0./s1
InChIKeyMJNDBKBMQVIPQO-MERQFXBCSA-N
XLogP3.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 60974394
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CID 27522605
ethane;(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
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2-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 54881931
2-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 151276711
1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]piperidine-2,6-dione
CID 110728255
(2R)-2-methyl-1-[4-[(E)-2-phenylethenyl]phenyl]sulfonylpyrrolidine
CID 59100261
N-methyl-1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine
CID 54882434
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CID 144713635

Frequently Asked Questions

What is the IUPAC name of ethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The IUPAC name of ethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine (CID 156877690) is ethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for ethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The canonical SMILES for ethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine is CC.Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C)cc1.
What is the InChIKey of ethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine?
The InChIKey is MJNDBKBMQVIPQO-MERQFXBCSA-N. The full InChI is InChI=1S/C12H17NO2S.C2H6/c1-10-5-7-12(8-6-10)16(14,15)13-9-3-4-11(13)2;1-2/h5-8,11H,3-4,9H2,1-2H3;1-2H3/t11-;/m0./s1.
What are the key properties of ethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine?
ethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine has a molecular weight of 269.41 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 156877690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).