1-(3-cyclobutylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine

C17H27NO2S — CID 105053631

IUPAC1-(3-cyclobutylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
SMILESCCCNC(c1cccc(C2CCC2)c1)C(C)S(C)(=O)=O
InChIInChI=1S/C17H27NO2S/c1-4-11-18-17(13(2)21(3,19)20)16-10-6-9-15(12-16)14-7-5-8-14/h6,9-10,12-14,17-18H,4-5,7-8,11H2,1-3H3
InChIKeyUAMXTSDBVDYLBX-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.43
Rot. Bonds7

About 1-(3-cyclobutylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine

1-(3-cyclobutylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine (PubChem CID 105053631) has the molecular formula C17H27NO2S and a molecular weight of 309.48 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
PubChem CID105053631
Molecular FormulaC17H27NO2S
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC Name1-(3-cyclobutylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
SMILESCCCNC(c1cccc(C2CCC2)c1)C(C)S(C)(=O)=O
InChIInChI=1S/C17H27NO2S/c1-4-11-18-17(13(2)21(3,19)20)16-10-6-9-15(12-16)14-7-5-8-14/h6,9-10,12-14,17-18H,4-5,7-8,11H2,1-3H3
InChIKeyUAMXTSDBVDYLBX-UHFFFAOYSA-N
XLogP3.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclobutylphenyl)-2-ethoxy-N-propylbutan-1-amine
CID 114604696
1-(3-cyclobutylphenyl)-3-methyl-N-propylbutan-1-amine
CID 114602675
N-[(3-cyclobutylphenyl)-cyclohexylmethyl]propan-1-amine
CID 114602717
N-[1-(3-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 114604146
1-(3,4-dimethylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518652
1-(3-cyclobutylphenyl)-N-ethyl-2-propylpentan-1-amine
CID 105053791
1-(3-cyclobutylphenyl)-N-ethylethanamine
CID 114602707
N-[1-(3-cyclobutylphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 114603243
N-[(3-cyclobutylphenyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 114603372
1-(1,3-dihydro-2-benzofuran-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518874
1-(4-tert-butylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518693
N-[(3-cyclobutylphenyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 105053686

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine?
The IUPAC name of 1-(3-cyclobutylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine (CID 105053631) is 1-(3-cyclobutylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(3-cyclobutylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine is CCCNC(c1cccc(C2CCC2)c1)C(C)S(C)(=O)=O.
What is the InChIKey of 1-(3-cyclobutylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine?
The InChIKey is UAMXTSDBVDYLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-4-11-18-17(13(2)21(3,19)20)16-10-6-9-15(12-16)14-7-5-8-14/h6,9-10,12-14,17-18H,4-5,7-8,11H2,1-3H3.
What are the key properties of 1-(3-cyclobutylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine?
1-(3-cyclobutylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine has a molecular weight of 309.48 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine is sourced from PubChem (CID 105053631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).