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

C15H23NO4S — CID 104753895

IUPACN-ethyl-2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine
SMILESCCNC(CS(=O)(=O)c1cccc(OC)c1)C1CCOC1
InChIInChI=1S/C15H23NO4S/c1-3-16-15(12-7-8-20-10-12)11-21(17,18)14-6-4-5-13(9-14)19-2/h4-6,9,12,15-16H,3,7-8,10-11H2,1-2H3
InChIKeyDCATUNVZHWQAGP-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.48
Rot. Bonds7

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

N-ethyl-2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine (PubChem CID 104753895) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-ethyl-2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine
PubChem CID104753895
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC NameN-ethyl-2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine
SMILESCCNC(CS(=O)(=O)c1cccc(OC)c1)C1CCOC1
InChIInChI=1S/C15H23NO4S/c1-3-16-15(12-7-8-20-10-12)11-21(17,18)14-6-4-5-13(9-14)19-2/h4-6,9,12,15-16H,3,7-8,10-11H2,1-2H3
InChIKeyDCATUNVZHWQAGP-UHFFFAOYSA-N
XLogP1.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine
CID 104753897
N-[2-(3-methylphenyl)sulfonyl-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104754220
2-(2,6-dichlorophenyl)sulfonyl-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104754077
2-(3-chlorophenyl)sulfonyl-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104754168
1-cyclopropyl-N-ethyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanamine
CID 64646667
N-ethyl-2-[(2-methylphenyl)methylsulfonyl]-1-(oxolan-3-yl)ethanamine
CID 104754198
N-[(4-methoxyphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276481
1-(3-methoxyphenyl)sulfonyl-N-propylpentan-2-amine
CID 64645556
N-[(4-methoxy-2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276557
2-(3,4-dimethoxyphenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 61276602
2-cyclohexylsulfonyl-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104754135
2-(3-methoxyphenoxy)-1-(oxolan-3-yl)ethanol
CID 113449272

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine (CID 104753895) is N-ethyl-2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine is CCNC(CS(=O)(=O)c1cccc(OC)c1)C1CCOC1.
What is the InChIKey of N-ethyl-2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is DCATUNVZHWQAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-3-16-15(12-7-8-20-10-12)11-21(17,18)14-6-4-5-13(9-14)19-2/h4-6,9,12,15-16H,3,7-8,10-11H2,1-2H3.
What are the key properties of N-ethyl-2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine?
N-ethyl-2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 313.42 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methoxyphenyl)sulfonyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104753895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).