[1-(4-ethylphenyl)sulfonylcyclobutyl]methanamine

C13H19NO2S — CID 117032316

IUPAC[1-(4-ethylphenyl)sulfonylcyclobutyl]methanamine
SMILESCCc1ccc(S(=O)(=O)C2(CN)CCC2)cc1
InChIInChI=1S/C13H19NO2S/c1-2-11-4-6-12(7-5-11)17(15,16)13(10-14)8-3-9-13/h4-7H,2-3,8-10,14H2,1H3
InChIKeyBSKFDHMRKXQBER-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.90
Rot. Bonds4

About [1-(4-ethylphenyl)sulfonylcyclobutyl]methanamine

[1-(4-ethylphenyl)sulfonylcyclobutyl]methanamine (PubChem CID 117032316) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is [1-(4-ethylphenyl)sulfonylcyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(4-ethylphenyl)sulfonylcyclobutyl]methanamine
PubChem CID117032316
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name[1-(4-ethylphenyl)sulfonylcyclobutyl]methanamine
SMILESCCc1ccc(S(=O)(=O)C2(CN)CCC2)cc1
InChIInChI=1S/C13H19NO2S/c1-2-11-4-6-12(7-5-11)17(15,16)13(10-14)8-3-9-13/h4-7H,2-3,8-10,14H2,1H3
InChIKeyBSKFDHMRKXQBER-UHFFFAOYSA-N
XLogP1.90
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-ethylphenyl)sulfonylcyclopropyl]methanol
CID 117037448
[3-(4-ethylphenyl)sulfonyloxetan-3-yl]methanol
CID 117037610
[1-(4-chlorophenyl)sulfonylcyclopropyl]methanamine
CID 115045721
1-ethyl-4-methylsulfonylbenzene
CID 143759723
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-ethylbenzenesulfonamide;hydrochloride
CID 120607414
4-ethylbenzenesulfonothioamide
CID 154167373
[1-(4-ethylphenyl)cyclopentyl]methanamine
CID 82491828
calcium bis(4-ethylbenzenesulfonate)
CID 87263292
4-ethyl-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 55082213
[1-(2-bromophenyl)sulfonylcyclopentyl]methanamine
CID 90313478
(4-ethylphenyl)-methyl-methylidene-oxo-λ6-sulfane
CID 58248155
(4-ethylphenyl)-imino-methyl-oxo-λ6-sulfane
CID 147118244

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylphenyl)sulfonylcyclobutyl]methanamine?
The IUPAC name of [1-(4-ethylphenyl)sulfonylcyclobutyl]methanamine (CID 117032316) is [1-(4-ethylphenyl)sulfonylcyclobutyl]methanamine.
What is the SMILES notation for [1-(4-ethylphenyl)sulfonylcyclobutyl]methanamine?
The canonical SMILES for [1-(4-ethylphenyl)sulfonylcyclobutyl]methanamine is CCc1ccc(S(=O)(=O)C2(CN)CCC2)cc1.
What is the InChIKey of [1-(4-ethylphenyl)sulfonylcyclobutyl]methanamine?
The InChIKey is BSKFDHMRKXQBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-2-11-4-6-12(7-5-11)17(15,16)13(10-14)8-3-9-13/h4-7H,2-3,8-10,14H2,1H3.
What are the key properties of [1-(4-ethylphenyl)sulfonylcyclobutyl]methanamine?
[1-(4-ethylphenyl)sulfonylcyclobutyl]methanamine has a molecular weight of 253.37 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethylphenyl)sulfonylcyclobutyl]methanamine is sourced from PubChem (CID 117032316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).