2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine

C13H19NO4S — CID 104753897

IUPAC2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine
SMILESCOc1cccc(S(=O)(=O)CC(N)C2CCOC2)c1
InChIInChI=1S/C13H19NO4S/c1-17-11-3-2-4-12(7-11)19(15,16)9-13(14)10-5-6-18-8-10/h2-4,7,10,13H,5-6,8-9,14H2,1H3
InChIKeyJNCLDMVSEWSPAF-UHFFFAOYSA-N
MW285.36 g/mol
LogP0.83
Rot. Bonds5

About 2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine

2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine (PubChem CID 104753897) has the molecular formula C13H19NO4S and a molecular weight of 285.36 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine
PubChem CID104753897
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC Name2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine
SMILESCOc1cccc(S(=O)(=O)CC(N)C2CCOC2)c1
InChIInChI=1S/C13H19NO4S/c1-17-11-3-2-4-12(7-11)19(15,16)9-13(14)10-5-6-18-8-10/h2-4,7,10,13H,5-6,8-9,14H2,1H3
InChIKeyJNCLDMVSEWSPAF-UHFFFAOYSA-N
XLogP0.83
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine
CID 104753895
2-(3-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanamine
CID 64646152
2-(3-methoxyphenoxy)-1-(oxolan-3-yl)ethanol
CID 113449272
2-(3-chlorophenyl)sulfonyl-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104754168
2-(2-nitrophenyl)sulfonyl-1-(oxolan-3-yl)ethanamine
CID 104754041
3-(3-methoxyphenyl)sulfonyl-2-phenylpropan-1-amine
CID 64699404
N-[2-(3-methylphenyl)sulfonyl-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104754220
2-(3-methoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 105496707
1-(fluoromethylsulfonyl)-3-methoxybenzene
CID 84721809
2-(2-methylpropylsulfonyl)-1-(oxolan-3-yl)ethanamine
CID 104753957
2-(3-methoxyanilino)-2-(oxolan-3-yl)acetic acid
CID 54890217
1-(3-methoxyphenyl)sulfonyl-N-propylpentan-2-amine
CID 64645556

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine (CID 104753897) is 2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine is COc1cccc(S(=O)(=O)CC(N)C2CCOC2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is JNCLDMVSEWSPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-17-11-3-2-4-12(7-11)19(15,16)9-13(14)10-5-6-18-8-10/h2-4,7,10,13H,5-6,8-9,14H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine?
2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 285.36 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104753897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).