3-methyl-2-methylsulfonyl-1-phenyl-N-propylbutan-1-amine

C15H25NO2S — CID 55112331

IUPAC3-methyl-2-methylsulfonyl-1-phenyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccccc1)C(C(C)C)S(C)(=O)=O
InChIInChI=1S/C15H25NO2S/c1-5-11-16-14(13-9-7-6-8-10-13)15(12(2)3)19(4,17)18/h6-10,12,14-16H,5,11H2,1-4H3
InChIKeyAKFBHARTIJCSTN-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.80
Rot. Bonds7

About 3-methyl-2-methylsulfonyl-1-phenyl-N-propylbutan-1-amine

3-methyl-2-methylsulfonyl-1-phenyl-N-propylbutan-1-amine (PubChem CID 55112331) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 3-methyl-2-methylsulfonyl-1-phenyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-2-methylsulfonyl-1-phenyl-N-propylbutan-1-amine
PubChem CID55112331
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name3-methyl-2-methylsulfonyl-1-phenyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccccc1)C(C(C)C)S(C)(=O)=O
InChIInChI=1S/C15H25NO2S/c1-5-11-16-14(13-9-7-6-8-10-13)15(12(2)3)19(4,17)18/h6-10,12,14-16H,5,11H2,1-4H3
InChIKeyAKFBHARTIJCSTN-UHFFFAOYSA-N
XLogP2.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylbutan-2-ylsulfonyl)-1-phenyl-N-propylpropan-1-amine
CID 107759149
5-ethylsulfonyl-2-methyl-1-phenyl-N-propylpentan-1-amine
CID 104845545
3-methyl-2-[phenyl(propylamino)methyl]butan-1-ol
CID 64814691
2-ethylsulfinyl-3-methyl-1-phenyl-N-propylbutan-1-amine
CID 64652134
1-(4-tert-butylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518693
N',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62618719
2-(2,2-difluoroethoxy)-1-phenyl-N-propylpropan-1-amine
CID 82004553
2-butan-2-ylsulfanyl-3-methyl-1-phenyl-N-propylbutan-1-amine
CID 64613003
3-methyl-2-pentylsulfanyl-1-phenyl-N-propylbutan-1-amine
CID 107763049
N-[(1S)-2-methyl-1-phenylpropyl]ethanesulfonamide
CID 94197100
N-ethyl-N-[3-[(2-methyl-1-phenylpropyl)amino]propyl]methanesulfonamide
CID 61014241
1-phenyl-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66448538

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylsulfonyl-1-phenyl-N-propylbutan-1-amine?
The IUPAC name of 3-methyl-2-methylsulfonyl-1-phenyl-N-propylbutan-1-amine (CID 55112331) is 3-methyl-2-methylsulfonyl-1-phenyl-N-propylbutan-1-amine.
What is the SMILES notation for 3-methyl-2-methylsulfonyl-1-phenyl-N-propylbutan-1-amine?
The canonical SMILES for 3-methyl-2-methylsulfonyl-1-phenyl-N-propylbutan-1-amine is CCCNC(c1ccccc1)C(C(C)C)S(C)(=O)=O.
What is the InChIKey of 3-methyl-2-methylsulfonyl-1-phenyl-N-propylbutan-1-amine?
The InChIKey is AKFBHARTIJCSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-5-11-16-14(13-9-7-6-8-10-13)15(12(2)3)19(4,17)18/h6-10,12,14-16H,5,11H2,1-4H3.
What are the key properties of 3-methyl-2-methylsulfonyl-1-phenyl-N-propylbutan-1-amine?
3-methyl-2-methylsulfonyl-1-phenyl-N-propylbutan-1-amine has a molecular weight of 283.44 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylsulfonyl-1-phenyl-N-propylbutan-1-amine is sourced from PubChem (CID 55112331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).