[1-methyl-5-(4-methyl-3-methylsulfonylphenyl)pyrrolidin-3-yl]methanamine

C14H22N2O2S — CID 117454028

IUPAC[1-methyl-5-(4-methyl-3-methylsulfonylphenyl)pyrrolidin-3-yl]methanamine
SMILESCc1ccc(C2CC(CN)CN2C)cc1S(C)(=O)=O
InChIInChI=1S/C14H22N2O2S/c1-10-4-5-12(7-14(10)19(3,17)18)13-6-11(8-15)9-16(13)2/h4-5,7,11,13H,6,8-9,15H2,1-3H3
InChIKeyWGSBSNPWZCAMOF-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.35
Rot. Bonds3

About [1-methyl-5-(4-methyl-3-methylsulfonylphenyl)pyrrolidin-3-yl]methanamine

[1-methyl-5-(4-methyl-3-methylsulfonylphenyl)pyrrolidin-3-yl]methanamine (PubChem CID 117454028) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is [1-methyl-5-(4-methyl-3-methylsulfonylphenyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-5-(4-methyl-3-methylsulfonylphenyl)pyrrolidin-3-yl]methanamine
PubChem CID117454028
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name[1-methyl-5-(4-methyl-3-methylsulfonylphenyl)pyrrolidin-3-yl]methanamine
SMILESCc1ccc(C2CC(CN)CN2C)cc1S(C)(=O)=O
InChIInChI=1S/C14H22N2O2S/c1-10-4-5-12(7-14(10)19(3,17)18)13-6-11(8-15)9-16(13)2/h4-5,7,11,13H,6,8-9,15H2,1-3H3
InChIKeyWGSBSNPWZCAMOF-UHFFFAOYSA-N
XLogP1.35
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2-methylphenol
CID 117314847
[1-methyl-5-(4-methyl-3-methylsulfanylphenyl)pyrrolidin-3-yl]methanamine
CID 117379928
[1-methyl-5-(1,2,3-trimethylindol-6-yl)pyrrolidin-3-yl]methanamine
CID 117431684
5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1,3-dimethylbenzimidazol-2-one
CID 117438743
[5-(2-chloro-6-methylsulfonylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117487635
[5-(2,3-dimethylbenzimidazol-5-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117399888
[1-methyl-5-(3-phenylphenyl)pyrrolidin-3-yl]methanamine
CID 117420358
3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylaniline
CID 117339423
7-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1-methyl-3,4-dihydroquinolin-2-one
CID 117436405
[5-(4-cyclohexylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117434114
[5-(3-cyclohexylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117434115
[5-[4-[(dimethylamino)methyl]-3-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117418091

Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-(4-methyl-3-methylsulfonylphenyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-methyl-5-(4-methyl-3-methylsulfonylphenyl)pyrrolidin-3-yl]methanamine (CID 117454028) is [1-methyl-5-(4-methyl-3-methylsulfonylphenyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-methyl-5-(4-methyl-3-methylsulfonylphenyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-methyl-5-(4-methyl-3-methylsulfonylphenyl)pyrrolidin-3-yl]methanamine is Cc1ccc(C2CC(CN)CN2C)cc1S(C)(=O)=O.
What is the InChIKey of [1-methyl-5-(4-methyl-3-methylsulfonylphenyl)pyrrolidin-3-yl]methanamine?
The InChIKey is WGSBSNPWZCAMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-4-5-12(7-14(10)19(3,17)18)13-6-11(8-15)9-16(13)2/h4-5,7,11,13H,6,8-9,15H2,1-3H3.
What are the key properties of [1-methyl-5-(4-methyl-3-methylsulfonylphenyl)pyrrolidin-3-yl]methanamine?
[1-methyl-5-(4-methyl-3-methylsulfonylphenyl)pyrrolidin-3-yl]methanamine has a molecular weight of 282.41 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-(4-methyl-3-methylsulfonylphenyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117454028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).