[(2R)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidin-2-yl]methanamine

C13H20N2O2S — CID 124695078

IUPAC[(2R)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidin-2-yl]methanamine
SMILESCc1cccc(CS(=O)(=O)N2CCC[C@@H]2CN)c1
InChIInChI=1S/C13H20N2O2S/c1-11-4-2-5-12(8-11)10-18(16,17)15-7-3-6-13(15)9-14/h2,4-5,8,13H,3,6-7,9-10,14H2,1H3/t13-/m1/s1
InChIKeyWEFBFSDVNYGUHP-CYBMUJFWSA-N
MW268.38 g/mol
LogP1.25
Rot. Bonds4

About [(2R)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidin-2-yl]methanamine

[(2R)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidin-2-yl]methanamine (PubChem CID 124695078) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is [(2R)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidin-2-yl]methanamine
PubChem CID124695078
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name[(2R)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidin-2-yl]methanamine
SMILESCc1cccc(CS(=O)(=O)N2CCC[C@@H]2CN)c1
InChIInChI=1S/C13H20N2O2S/c1-11-4-2-5-12(8-11)10-18(16,17)15-7-3-6-13(15)9-14/h2,4-5,8,13H,3,6-7,9-10,14H2,1H3/t13-/m1/s1
InChIKeyWEFBFSDVNYGUHP-CYBMUJFWSA-N
XLogP1.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine
CID 110871848
3-[[2-(aminomethyl)pyrrolidin-1-yl]sulfonylmethyl]benzonitrile
CID 115312346
(2S)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine-2-carboxamide
CID 110867520
[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988815
1-[(3-methylphenyl)methylsulfonyl]piperidin-3-amine;hydrochloride
CID 119959520
3-[1-[[3-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]propan-1-ol
CID 62480272
[1-[(3,4-dichlorophenyl)methylsulfonyl]piperidin-2-yl]methanamine
CID 119969410
1-ethylsulfonyl-4-[(3-methylphenyl)methylsulfonyl]piperazine
CID 110819012
[4-[(2-ethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]methanamine
CID 54885835
[(2S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-2-yl]methanamine
CID 97165454
1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxylic acid
CID 91671442
3-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylmethyl]benzonitrile
CID 66260603

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [(2R)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidin-2-yl]methanamine (CID 124695078) is [(2R)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [(2R)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [(2R)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidin-2-yl]methanamine is Cc1cccc(CS(=O)(=O)N2CCC[C@@H]2CN)c1.
What is the InChIKey of [(2R)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidin-2-yl]methanamine?
The InChIKey is WEFBFSDVNYGUHP-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-11-4-2-5-12(8-11)10-18(16,17)15-7-3-6-13(15)9-14/h2,4-5,8,13H,3,6-7,9-10,14H2,1H3/t13-/m1/s1.
What are the key properties of [(2R)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidin-2-yl]methanamine?
[(2R)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidin-2-yl]methanamine has a molecular weight of 268.38 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 124695078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).