N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propylphenyl)ethanamine

C17H27NO2S — CID 107758454

IUPACN-methyl-2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(CS(=O)C2CCOC2C)NC)cc1
InChIInChI=1S/C17H27NO2S/c1-4-5-14-6-8-15(9-7-14)16(18-3)12-21(19)17-10-11-20-13(17)2/h6-9,13,16-18H,4-5,10-12H2,1-3H3
InChIKeyIXBRXSSEVMWGJZ-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.83
Rot. Bonds7

About N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propylphenyl)ethanamine

N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propylphenyl)ethanamine (PubChem CID 107758454) has the molecular formula C17H27NO2S and a molecular weight of 309.48 g/mol. Its IUPAC name is N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propylphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propylphenyl)ethanamine
PubChem CID107758454
Molecular FormulaC17H27NO2S
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC NameN-methyl-2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(CS(=O)C2CCOC2C)NC)cc1
InChIInChI=1S/C17H27NO2S/c1-4-5-14-6-8-15(9-7-14)16(18-3)12-21(19)17-10-11-20-13(17)2/h6-9,13,16-18H,4-5,10-12H2,1-3H3
InChIKeyIXBRXSSEVMWGJZ-UHFFFAOYSA-N
XLogP2.83
TPSA38.33 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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(oxolan-2-ylmethylsulfinyl)-1-(4-propylphenyl)ethanamine
CID 106496342
N-ethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-amine
CID 107758395
1-(4-ethylphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfanylethanamine
CID 107762815
2-cyclopentyl-N-methyl-1-(4-propylphenyl)ethanamine
CID 60771358
N,N'-dimethyl-N'-(oxolan-3-yl)-1-(4-propylphenyl)ethane-1,2-diamine
CID 82735589
2-(methylamino)-2-(4-propylphenyl)ethanethiol
CID 116830608
N-methyl-2-(oxan-4-ylmethoxy)-1-(4-propylphenyl)ethanamine
CID 62382237
N-methyl-2-(oxetan-3-yloxy)-1-(4-propylphenyl)ethanamine
CID 102605871
ethyl 2-methyl-3-(2-methyloxolan-3-yl)sulfinylpropanoate
CID 107753074
2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propan-2-ylphenyl)ethanone
CID 107764229
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-propylphenyl)ethanamine
CID 83219356
4-[methylamino-(4-propylphenyl)methyl]cyclohexan-1-ol
CID 116957004

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propylphenyl)ethanamine?
The IUPAC name of N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propylphenyl)ethanamine (CID 107758454) is N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propylphenyl)ethanamine.
What is the SMILES notation for N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propylphenyl)ethanamine?
The canonical SMILES for N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propylphenyl)ethanamine is CCCc1ccc(C(CS(=O)C2CCOC2C)NC)cc1.
What is the InChIKey of N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propylphenyl)ethanamine?
The InChIKey is IXBRXSSEVMWGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-4-5-14-6-8-15(9-7-14)16(18-3)12-21(19)17-10-11-20-13(17)2/h6-9,13,16-18H,4-5,10-12H2,1-3H3.
What are the key properties of N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propylphenyl)ethanamine?
N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propylphenyl)ethanamine has a molecular weight of 309.48 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-1-(4-propylphenyl)ethanamine is sourced from PubChem (CID 107758454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).