1-(2-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine

C15H23NO4S — CID 107758131

IUPAC1-(2-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine
SMILESCNC(CS(=O)(=O)C1CCOC1C)c1ccccc1OC
InChIInChI=1S/C15H23NO4S/c1-11-15(8-9-20-11)21(17,18)10-13(16-2)12-6-4-5-7-14(12)19-3/h4-7,11,13,15-16H,8-10H2,1-3H3
InChIKeyDMOMPLLTVKBRGG-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.55
Rot. Bonds6

About 1-(2-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine

1-(2-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine (PubChem CID 107758131) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine
PubChem CID107758131
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name1-(2-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine
SMILESCNC(CS(=O)(=O)C1CCOC1C)c1ccccc1OC
InChIInChI=1S/C15H23NO4S/c1-11-15(8-9-20-11)21(17,18)10-13(16-2)12-6-4-5-7-14(12)19-3/h4-7,11,13,15-16H,8-10H2,1-3H3
InChIKeyDMOMPLLTVKBRGG-UHFFFAOYSA-N
XLogP1.55
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine
CID 107758027
1-(4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfonylethanamine
CID 107758080
3-(2,2-dimethoxyethylsulfonyl)-2-methyloxolane
CID 107764097
1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 79755096
methyl 3-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]sulfonylpropanoate
CID 64676345
3-(chloromethylsulfonyl)-2-methyloxolane
CID 107746968
1-(2,5-dimethoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfanylethanamine
CID 107762559
1-(2-methoxyphenyl)-N-methyl-2-(oxolan-2-ylmethylsulfanyl)ethanamine
CID 106496981
N-methyl-1-(2-methyloxolan-3-yl)-1-(2-propan-2-yloxyphenyl)methanamine
CID 105018149
1-(2-ethoxyphenyl)-N-methyl-2-methylsulfonylethanamine
CID 62786081
2-(2-methyloxolan-3-yl)sulfonyl-1-phenylethanone
CID 107764032
1-cyclopropyl-2-(2-methyloxolan-3-yl)sulfonylethanamine
CID 107758059

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine?
The IUPAC name of 1-(2-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine (CID 107758131) is 1-(2-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine is CNC(CS(=O)(=O)C1CCOC1C)c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine?
The InChIKey is DMOMPLLTVKBRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-11-15(8-9-20-11)21(17,18)10-13(16-2)12-6-4-5-7-14(12)19-3/h4-7,11,13,15-16H,8-10H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine?
1-(2-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine has a molecular weight of 313.42 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine is sourced from PubChem (CID 107758131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).