1-(4-cyclobutylphenyl)-2-methylsulfonylethanamine

C13H19NO2S — CID 105044925

IUPAC1-(4-cyclobutylphenyl)-2-methylsulfonylethanamine
SMILESCS(=O)(=O)CC(N)c1ccc(C2CCC2)cc1
InChIInChI=1S/C13H19NO2S/c1-17(15,16)9-13(14)12-7-5-11(6-8-12)10-3-2-4-10/h5-8,10,13H,2-4,9,14H2,1H3
InChIKeyQUWWPAXMKRZEHM-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.00
Rot. Bonds4

About 1-(4-cyclobutylphenyl)-2-methylsulfonylethanamine

1-(4-cyclobutylphenyl)-2-methylsulfonylethanamine (PubChem CID 105044925) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-2-methylsulfonylethanamine.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-2-methylsulfonylethanamine
PubChem CID105044925
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name1-(4-cyclobutylphenyl)-2-methylsulfonylethanamine
SMILESCS(=O)(=O)CC(N)c1ccc(C2CCC2)cc1
InChIInChI=1S/C13H19NO2S/c1-17(15,16)9-13(14)12-7-5-11(6-8-12)10-3-2-4-10/h5-8,10,13H,2-4,9,14H2,1H3
InChIKeyQUWWPAXMKRZEHM-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclobutylphenyl)-2-cyclopentylethanamine
CID 105044997
1-(4-cyclohexylphenyl)-3-methylbutane-1,3-diamine
CID 116933539
1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 77131240
(1R)-1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 66517695
1-(4-cyclohexylphenyl)hexan-1-amine
CID 43125388
1-(4-cyclobutylphenyl)-3-ethoxypropan-1-amine
CID 105185330
1-(4-cyclobutylphenyl)-3-methoxybutan-1-amine
CID 116506443
4-amino-4-(4-cyclohexylphenyl)butan-2-one
CID 116940518
N-(4-cyclobutylphenyl)methanesulfonamide
CID 170179821
2-(4-cyclobutylphenyl)propan-1-amine
CID 116507054
1-(4-cyclobutylphenyl)-2-methylbutan-1-amine
CID 116506106
1-(3-cyclobutylphenyl)-2-methylsulfonylethanol
CID 115839105

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-2-methylsulfonylethanamine?
The IUPAC name of 1-(4-cyclobutylphenyl)-2-methylsulfonylethanamine (CID 105044925) is 1-(4-cyclobutylphenyl)-2-methylsulfonylethanamine.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-2-methylsulfonylethanamine?
The canonical SMILES for 1-(4-cyclobutylphenyl)-2-methylsulfonylethanamine is CS(=O)(=O)CC(N)c1ccc(C2CCC2)cc1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-2-methylsulfonylethanamine?
The InChIKey is QUWWPAXMKRZEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-17(15,16)9-13(14)12-7-5-11(6-8-12)10-3-2-4-10/h5-8,10,13H,2-4,9,14H2,1H3.
What are the key properties of 1-(4-cyclobutylphenyl)-2-methylsulfonylethanamine?
1-(4-cyclobutylphenyl)-2-methylsulfonylethanamine has a molecular weight of 253.37 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-2-methylsulfonylethanamine is sourced from PubChem (CID 105044925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).