N-methyl-2-(2-methylsulfonylethoxy)ethanamine

C6H15NO3S — CID 62335675

IUPACN-methyl-2-(2-methylsulfonylethoxy)ethanamine
SMILESCNCCOCCS(C)(=O)=O
InChIInChI=1S/C6H15NO3S/c1-7-3-4-10-5-6-11(2,8)9/h7H,3-6H2,1-2H3
InChIKeyYNXBCAQFWNEIRG-UHFFFAOYSA-N
MW181.26 g/mol
LogP-0.73
Rot. Bonds6

About N-methyl-2-(2-methylsulfonylethoxy)ethanamine

N-methyl-2-(2-methylsulfonylethoxy)ethanamine (PubChem CID 62335675) has the molecular formula C6H15NO3S and a molecular weight of 181.26 g/mol. Its IUPAC name is N-methyl-2-(2-methylsulfonylethoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methylsulfonylethoxy)ethanamine
PubChem CID62335675
Molecular FormulaC6H15NO3S
Molecular Weight181.26 g/mol
Exact Mass181.08
IUPAC NameN-methyl-2-(2-methylsulfonylethoxy)ethanamine
SMILESCNCCOCCS(C)(=O)=O
InChIInChI=1S/C6H15NO3S/c1-7-3-4-10-5-6-11(2,8)9/h7H,3-6H2,1-2H3
InChIKeyYNXBCAQFWNEIRG-UHFFFAOYSA-N
XLogP-0.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[2-(methylamino)ethoxy]-N-[2-(2-methylsulfonylethoxy)ethyl]acetamide
CID 170359457
N-methyl-2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 146243407
ethene;N-methyl-2-[2-(methylamino)ethoxy]ethanamine
CID 158445143
2-ethyl-N-[2-(2-methylsulfonylethoxy)ethyl]butan-1-amine
CID 115756976
2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanethiol
CID 59079398
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-methylsulfonylpropan-1-amine
CID 104561861
1-methylsulfonyl-3-(3-methylsulfonylpropoxy)propane
CID 91149824
N-ethyl-2-(3-methylsulfonylpropoxy)ethanamine
CID 63191293
N-(2-methylsulfonylethyl)-2-(2-propoxyethoxy)ethanamine
CID 63685909
N-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 62560122
1-(3-butoxypropyl)-2-methyl-3-[2-(2-methylsulfonylethoxy)ethyl]guanidine;hydroiodide
CID 111513161
(2S)-2-amino-4-methyl-N-[2-(2-methylsulfonylethoxy)ethyl]pentanamide
CID 119803206

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylsulfonylethoxy)ethanamine?
The IUPAC name of N-methyl-2-(2-methylsulfonylethoxy)ethanamine (CID 62335675) is N-methyl-2-(2-methylsulfonylethoxy)ethanamine.
What is the SMILES notation for N-methyl-2-(2-methylsulfonylethoxy)ethanamine?
The canonical SMILES for N-methyl-2-(2-methylsulfonylethoxy)ethanamine is CNCCOCCS(C)(=O)=O.
What is the InChIKey of N-methyl-2-(2-methylsulfonylethoxy)ethanamine?
The InChIKey is YNXBCAQFWNEIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3S/c1-7-3-4-10-5-6-11(2,8)9/h7H,3-6H2,1-2H3.
What are the key properties of N-methyl-2-(2-methylsulfonylethoxy)ethanamine?
N-methyl-2-(2-methylsulfonylethoxy)ethanamine has a molecular weight of 181.26 g/mol, XLogP of -0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylsulfonylethoxy)ethanamine is sourced from PubChem (CID 62335675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).