1-methylsulfonyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-2-amine

C16H27NO2S — CID 115601465

IUPAC1-methylsulfonyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-2-amine
SMILESCCCNC(Cc1c(C)cc(C)cc1C)CS(C)(=O)=O
InChIInChI=1S/C16H27NO2S/c1-6-7-17-15(11-20(5,18)19)10-16-13(3)8-12(2)9-14(16)4/h8-9,15,17H,6-7,10-11H2,1-5H3
InChIKeySSPMOBIOGMBNGU-UHFFFAOYSA-N
MW297.46 g/mol
LogP2.57
Rot. Bonds7

About 1-methylsulfonyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-2-amine

1-methylsulfonyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-2-amine (PubChem CID 115601465) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is 1-methylsulfonyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-2-amine
PubChem CID115601465
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC Name1-methylsulfonyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-2-amine
SMILESCCCNC(Cc1c(C)cc(C)cc1C)CS(C)(=O)=O
InChIInChI=1S/C16H27NO2S/c1-6-7-17-15(11-20(5,18)19)10-16-13(3)8-12(2)9-14(16)4/h8-9,15,17H,6-7,10-11H2,1-5H3
InChIKeySSPMOBIOGMBNGU-UHFFFAOYSA-N
XLogP2.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N-dimethyl-2-N-propyl-3-(2,4,6-trimethylphenyl)propane-1,2-diamine
CID 79088757
1-(2-methylphenyl)-3-methylsulfonyl-N-propylpropan-2-amine
CID 62473098
5-ethoxy-N-propyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 105121210
5-methoxy-N-propyl-1-(2,4,6-trimethylphenyl)hexan-2-amine
CID 105120818
N-propyl-1-thiophen-3-yl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 105120984
1-(2,5-dimethylphenyl)-5-methylsulfonyl-N-propylpentan-2-amine
CID 115820693
3-methylsulfonyl-N-propyl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 115848516
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-2-amine
CID 115601880
5-ethylsulfonyl-1-methylsulfonyl-N-propylpentan-2-amine
CID 115646739
1-(2-fluorophenyl)-3-methylsulfonyl-N-propylpropan-2-amine
CID 62472909
1-methylsulfonyl-N-propylpent-4-yn-2-amine
CID 115601083
1-(2,6-dimethylphenyl)-N-propylheptan-2-amine
CID 105024635

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-2-amine?
The IUPAC name of 1-methylsulfonyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-2-amine (CID 115601465) is 1-methylsulfonyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-2-amine.
What is the SMILES notation for 1-methylsulfonyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-2-amine?
The canonical SMILES for 1-methylsulfonyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-2-amine is CCCNC(Cc1c(C)cc(C)cc1C)CS(C)(=O)=O.
What is the InChIKey of 1-methylsulfonyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-2-amine?
The InChIKey is SSPMOBIOGMBNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-6-7-17-15(11-20(5,18)19)10-16-13(3)8-12(2)9-14(16)4/h8-9,15,17H,6-7,10-11H2,1-5H3.
What are the key properties of 1-methylsulfonyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-2-amine?
1-methylsulfonyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-2-amine has a molecular weight of 297.46 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-2-amine is sourced from PubChem (CID 115601465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).