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

C14H21NO4S — CID 107758080

IUPAC1-(4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfonylethanamine
SMILESCOc1ccc(C(N)CS(=O)(=O)C2CCOC2C)cc1
InChIInChI=1S/C14H21NO4S/c1-10-14(7-8-19-10)20(16,17)9-13(15)11-3-5-12(18-2)6-4-11/h3-6,10,13-14H,7-9,15H2,1-2H3
InChIKeyCSTDHQJGOQYNSI-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.29
Rot. Bonds5

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

1-(4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfonylethanamine (PubChem CID 107758080) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfonylethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfonylethanamine
PubChem CID107758080
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name1-(4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfonylethanamine
SMILESCOc1ccc(C(N)CS(=O)(=O)C2CCOC2C)cc1
InChIInChI=1S/C14H21NO4S/c1-10-14(7-8-19-10)20(16,17)9-13(15)11-3-5-12(18-2)6-4-11/h3-6,10,13-14H,7-9,15H2,1-2H3
InChIKeyCSTDHQJGOQYNSI-UHFFFAOYSA-N
XLogP1.29
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.29
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
2-cyclohexylsulfonyl-1-(4-methoxyphenyl)ethanamine
CID 64675196
3-(2,2-dimethoxyethylsulfonyl)-2-methyloxolane
CID 107764097
2-ethylsulfonyl-1-(4-methoxyphenyl)ethanamine
CID 64646771
(4-methoxyphenyl)-(2-methyloxolan-3-yl)methanamine
CID 79758244
1-(2-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine
CID 107758131
1-(4-methoxyphenyl)-1-N-methyl-1-N-(2-methyloxolan-3-yl)butane-1,2-diamine
CID 82733107
(2S,3R)-3-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]sulfonyl-2-methyloxolane
CID 124868221
(1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride
CID 171200883
3-(chloromethylsulfonyl)-2-methyloxolane
CID 107746968
1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine
CID 43184286
1-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethanamine
CID 64645393

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfonylethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfonylethanamine (CID 107758080) is 1-(4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfonylethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfonylethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfonylethanamine is COc1ccc(C(N)CS(=O)(=O)C2CCOC2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfonylethanamine?
The InChIKey is CSTDHQJGOQYNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-10-14(7-8-19-10)20(16,17)9-13(15)11-3-5-12(18-2)6-4-11/h3-6,10,13-14H,7-9,15H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfonylethanamine?
1-(4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfonylethanamine has a molecular weight of 299.39 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfonylethanamine is sourced from PubChem (CID 107758080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).