N-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-(4-propylphenyl)ethanamine

C17H27NO2S — CID 106496342

IUPACN-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(CS(=O)CC2CCCO2)NC)cc1
InChIInChI=1S/C17H27NO2S/c1-3-5-14-7-9-15(10-8-14)17(18-2)13-21(19)12-16-6-4-11-20-16/h7-10,16-18H,3-6,11-13H2,1-2H3
InChIKeyFQOXKNOYTIMDKZ-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.83
Rot. Bonds8

About N-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-(4-propylphenyl)ethanamine

N-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-(4-propylphenyl)ethanamine (PubChem CID 106496342) has the molecular formula C17H27NO2S and a molecular weight of 309.48 g/mol. Its IUPAC name is N-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-(4-propylphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-(4-propylphenyl)ethanamine
PubChem CID106496342
Molecular FormulaC17H27NO2S
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC NameN-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(CS(=O)CC2CCCO2)NC)cc1
InChIInChI=1S/C17H27NO2S/c1-3-5-14-7-9-15(10-8-14)17(18-2)13-21(19)12-16-6-4-11-20-16/h7-10,16-18H,3-6,11-13H2,1-2H3
InChIKeyFQOXKNOYTIMDKZ-UHFFFAOYSA-N
XLogP2.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-methyl-2-(oxolan-2-ylmethylsulfinyl)ethanamine
CID 106496340
N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propylphenyl)ethanamine
CID 107758454
[3-(oxolan-2-yl)-1-(4-propylphenyl)propyl]hydrazine
CID 105303812
3-(oxolan-2-yl)-N-propyl-1-(4-propylphenyl)propan-1-amine
CID 65156384
N,3-dimethyl-1-(oxolan-2-ylmethylsulfinyl)pentan-2-amine
CID 106496296
1-(4-ethylphenyl)-N-methyl-2-propylsulfinylethanamine
CID 64651139
1-(4-ethylphenyl)-2-ethylsulfinyl-N-methylethanamine
CID 64653780
2-cyclopentyl-N-methyl-1-(4-propylphenyl)ethanamine
CID 60771358
1-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 43309993
N-methyl-2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62791871
1-(4-butylphenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43111276
N-methyl-3-(oxan-2-yl)-1-(3-propylphenyl)propan-1-amine
CID 105050527

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-(4-propylphenyl)ethanamine?
The IUPAC name of N-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-(4-propylphenyl)ethanamine (CID 106496342) is N-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-(4-propylphenyl)ethanamine.
What is the SMILES notation for N-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-(4-propylphenyl)ethanamine?
The canonical SMILES for N-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-(4-propylphenyl)ethanamine is CCCc1ccc(C(CS(=O)CC2CCCO2)NC)cc1.
What is the InChIKey of N-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-(4-propylphenyl)ethanamine?
The InChIKey is FQOXKNOYTIMDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-3-5-14-7-9-15(10-8-14)17(18-2)13-21(19)12-16-6-4-11-20-16/h7-10,16-18H,3-6,11-13H2,1-2H3.
What are the key properties of N-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-(4-propylphenyl)ethanamine?
N-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-(4-propylphenyl)ethanamine has a molecular weight of 309.48 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-(4-propylphenyl)ethanamine is sourced from PubChem (CID 106496342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).