1-(4-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine

C15H23NO4S — CID 107758027

IUPAC1-(4-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine
SMILESCNC(CS(=O)(=O)C1CCOC1C)c1ccc(OC)cc1
InChIInChI=1S/C15H23NO4S/c1-11-15(8-9-20-11)21(17,18)10-14(16-2)12-4-6-13(19-3)7-5-12/h4-7,11,14-16H,8-10H2,1-3H3
InChIKeyPTZRWVKVFSRZNV-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.55
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine

1-(4-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine (PubChem CID 107758027) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine
PubChem CID107758027
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name1-(4-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine
SMILESCNC(CS(=O)(=O)C1CCOC1C)c1ccc(OC)cc1
InChIInChI=1S/C15H23NO4S/c1-11-15(8-9-20-11)21(17,18)10-14(16-2)12-4-6-13(19-3)7-5-12/h4-7,11,14-16H,8-10H2,1-3H3
InChIKeyPTZRWVKVFSRZNV-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)-2-(2-methyloxolan-3-yl)sulfonylethanamine
CID 107758080
1-(2-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine
CID 107758131
3-(2,2-dimethoxyethylsulfonyl)-2-methyloxolane
CID 107764097
methyl 2-[2-(4-methoxyphenyl)-2-(methylamino)ethyl]sulfonylacetate
CID 64676552
1-(4-methoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfonyl)ethanamine
CID 64646603
1-(1,3-benzodioxol-5-yl)-2-(2-methyloxolan-3-yl)sulfonylethanamine
CID 107758181
1-(4-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine
CID 107759604
1-(4-methoxyphenyl)-N-methyl-2-thiophen-2-ylsulfonylethanamine
CID 64645996
2-cyclohexylsulfonyl-1-(3-methoxyphenyl)-N-methylethanamine
CID 64675202
1-(4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65167486
(4-methoxyphenyl)-(2-methyloxolan-3-yl)methanamine
CID 79758244
2-chloro-1-(4-methoxyphenyl)-N-methylethanamine
CID 116952568

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine (CID 107758027) is 1-(4-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine is CNC(CS(=O)(=O)C1CCOC1C)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine?
The InChIKey is PTZRWVKVFSRZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-11-15(8-9-20-11)21(17,18)10-14(16-2)12-4-6-13(19-3)7-5-12/h4-7,11,14-16H,8-10H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine?
1-(4-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-(4-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine is sourced from PubChem (CID 107758027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).