N-methyl-2-(2-methyloxolan-3-yl)sulfonyl-1-(oxolan-3-yl)ethanamine

C12H23NO4S — CID 107758127

IUPACN-methyl-2-(2-methyloxolan-3-yl)sulfonyl-1-(oxolan-3-yl)ethanamine
SMILESCNC(CS(=O)(=O)C1CCOC1C)C1CCOC1
InChIInChI=1S/C12H23NO4S/c1-9-12(4-6-17-9)18(14,15)8-11(13-2)10-3-5-16-7-10/h9-13H,3-8H2,1-2H3
InChIKeyPVEXKFRATPOZCK-UHFFFAOYSA-N
MW277.39 g/mol
LogP0.20
Rot. Bonds5

About N-methyl-2-(2-methyloxolan-3-yl)sulfonyl-1-(oxolan-3-yl)ethanamine

N-methyl-2-(2-methyloxolan-3-yl)sulfonyl-1-(oxolan-3-yl)ethanamine (PubChem CID 107758127) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-methyl-2-(2-methyloxolan-3-yl)sulfonyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methyloxolan-3-yl)sulfonyl-1-(oxolan-3-yl)ethanamine
PubChem CID107758127
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC NameN-methyl-2-(2-methyloxolan-3-yl)sulfonyl-1-(oxolan-3-yl)ethanamine
SMILESCNC(CS(=O)(=O)C1CCOC1C)C1CCOC1
InChIInChI=1S/C12H23NO4S/c1-9-12(4-6-17-9)18(14,15)8-11(13-2)10-3-5-16-7-10/h9-13H,3-8H2,1-2H3
InChIKeyPVEXKFRATPOZCK-UHFFFAOYSA-N
XLogP0.20
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-2-(2-methyloxolan-3-yl)sulfonylethanamine
CID 107758059
3-(2,2-dimethoxyethylsulfonyl)-2-methyloxolane
CID 107764097
1-(4-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine
CID 107758027
2-cyclohexylsulfonyl-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104754135
3-(chloromethylsulfonyl)-2-methyloxolane
CID 107746968
1-(2-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine
CID 107758131
N-methyl-2-methylsulfanyl-1-(oxolan-3-yl)ethanamine
CID 63564188
2-[(4-chlorophenyl)methylsulfonyl]-N-methyl-1-(oxolan-3-yl)ethanamine
CID 114792062
2-(3-chlorophenyl)sulfonyl-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104754168
N-methyl-1-(oxolan-3-yl)pent-3-yn-1-amine
CID 65330413
3-ethyl-N-methyl-1-(oxolan-3-yl)pentan-1-amine
CID 82923243
N-methyl-3-(2-methyloxolan-3-yl)sulfonylbutan-2-amine
CID 107758086

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyloxolan-3-yl)sulfonyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-methyl-2-(2-methyloxolan-3-yl)sulfonyl-1-(oxolan-3-yl)ethanamine (CID 107758127) is N-methyl-2-(2-methyloxolan-3-yl)sulfonyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(2-methyloxolan-3-yl)sulfonyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-methyl-2-(2-methyloxolan-3-yl)sulfonyl-1-(oxolan-3-yl)ethanamine is CNC(CS(=O)(=O)C1CCOC1C)C1CCOC1.
What is the InChIKey of N-methyl-2-(2-methyloxolan-3-yl)sulfonyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is PVEXKFRATPOZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-9-12(4-6-17-9)18(14,15)8-11(13-2)10-3-5-16-7-10/h9-13H,3-8H2,1-2H3.
What are the key properties of N-methyl-2-(2-methyloxolan-3-yl)sulfonyl-1-(oxolan-3-yl)ethanamine?
N-methyl-2-(2-methyloxolan-3-yl)sulfonyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 277.39 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyloxolan-3-yl)sulfonyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 107758127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).