[3-(1-methylsulfonylcyclopentyl)phenyl]methanamine

C13H19NO2S — CID 115047146

IUPAC[3-(1-methylsulfonylcyclopentyl)phenyl]methanamine
SMILESCS(=O)(=O)C1(c2cccc(CN)c2)CCCC1
InChIInChI=1S/C13H19NO2S/c1-17(15,16)13(7-2-3-8-13)12-6-4-5-11(9-12)10-14/h4-6,9H,2-3,7-8,10,14H2,1H3
InChIKeyDZURTFBOJYTKPF-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.96
Rot. Bonds3

About [3-(1-methylsulfonylcyclopentyl)phenyl]methanamine

[3-(1-methylsulfonylcyclopentyl)phenyl]methanamine (PubChem CID 115047146) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is [3-(1-methylsulfonylcyclopentyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(1-methylsulfonylcyclopentyl)phenyl]methanamine
PubChem CID115047146
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name[3-(1-methylsulfonylcyclopentyl)phenyl]methanamine
SMILESCS(=O)(=O)C1(c2cccc(CN)c2)CCCC1
InChIInChI=1S/C13H19NO2S/c1-17(15,16)13(7-2-3-8-13)12-6-4-5-11(9-12)10-14/h4-6,9H,2-3,7-8,10,14H2,1H3
InChIKeyDZURTFBOJYTKPF-UHFFFAOYSA-N
XLogP1.96
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[1-[(dimethylamino)methyl]cyclopentyl]phenyl]methanamine
CID 115039154
1-[3-(methylsulfonylmethyl)phenyl]cyclopentan-1-amine
CID 117386737
[3-(1-fluorocyclobutyl)phenyl]methanamine
CID 84718168
[3-[1-(fluoromethyl)cyclohexyl]phenyl]methanamine
CID 105478163
[3-[1-(ethoxymethyl)cyclopentyl]phenyl]methanamine
CID 115039781
1-methyl-4-(1-methylsulfonylcyclopentyl)benzene
CID 59019789
[3-(2-methylsulfonylpropan-2-yl)phenyl]methanamine
CID 115036313
[1-[3-(aminomethyl)phenyl]cyclopropyl]-pyrrolidin-1-ylmethanone
CID 69308615
[3-(2-methylsulfonylethyl)phenyl]methanamine
CID 115028445
[3-[1-(1-methoxyethyl)cyclopropyl]phenyl]methanamine
CID 115024182
N-[3-(aminomethyl)phenyl]methanesulfonamide
CID 10495443
[3-[(1-fluorocyclopentyl)methyl]phenyl]methanamine
CID 84722438

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylsulfonylcyclopentyl)phenyl]methanamine?
The IUPAC name of [3-(1-methylsulfonylcyclopentyl)phenyl]methanamine (CID 115047146) is [3-(1-methylsulfonylcyclopentyl)phenyl]methanamine.
What is the SMILES notation for [3-(1-methylsulfonylcyclopentyl)phenyl]methanamine?
The canonical SMILES for [3-(1-methylsulfonylcyclopentyl)phenyl]methanamine is CS(=O)(=O)C1(c2cccc(CN)c2)CCCC1.
What is the InChIKey of [3-(1-methylsulfonylcyclopentyl)phenyl]methanamine?
The InChIKey is DZURTFBOJYTKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-17(15,16)13(7-2-3-8-13)12-6-4-5-11(9-12)10-14/h4-6,9H,2-3,7-8,10,14H2,1H3.
What are the key properties of [3-(1-methylsulfonylcyclopentyl)phenyl]methanamine?
[3-(1-methylsulfonylcyclopentyl)phenyl]methanamine has a molecular weight of 253.37 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylsulfonylcyclopentyl)phenyl]methanamine is sourced from PubChem (CID 115047146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).