N-ethyl-2-(3-methylsulfonylpropoxy)ethanamine

C8H19NO3S — CID 63191293

IUPACN-ethyl-2-(3-methylsulfonylpropoxy)ethanamine
SMILESCCNCCOCCCS(C)(=O)=O
InChIInChI=1S/C8H19NO3S/c1-3-9-5-7-12-6-4-8-13(2,10)11/h9H,3-8H2,1-2H3
InChIKeyHPAYUGWJSDSKGO-UHFFFAOYSA-N
MW209.31 g/mol
LogP0.05
Rot. Bonds8

About N-ethyl-2-(3-methylsulfonylpropoxy)ethanamine

N-ethyl-2-(3-methylsulfonylpropoxy)ethanamine (PubChem CID 63191293) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is N-ethyl-2-(3-methylsulfonylpropoxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-methylsulfonylpropoxy)ethanamine
PubChem CID63191293
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC NameN-ethyl-2-(3-methylsulfonylpropoxy)ethanamine
SMILESCCNCCOCCCS(C)(=O)=O
InChIInChI=1S/C8H19NO3S/c1-3-9-5-7-12-6-4-8-13(2,10)11/h9H,3-8H2,1-2H3
InChIKeyHPAYUGWJSDSKGO-UHFFFAOYSA-N
XLogP0.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 50.05
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

1-methylsulfonyl-3-(3-methylsulfonylpropoxy)propane
CID 91149824
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-methylsulfonylpropan-1-amine
CID 104561861
3-methylsulfonyl-N-(2-propoxyethyl)propan-1-amine
CID 106451726
N-(2-methylsulfonylethyl)-2-(2-propoxyethoxy)ethanamine
CID 63685909
3-methylsulfonyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 178004453
3-(2-methoxyethoxy)-N-(3-methylsulfonylpropyl)propan-1-amine
CID 103409415
2-ethyl-N-[2-(2-methylsulfonylethoxy)ethyl]butan-1-amine
CID 115756976
2-(2,2-dimethylpropoxy)-N-ethylethanamine
CID 126704889
2-(ethylamino)ethyl methanesulfonate
CID 89142204
N-ethyl-2-[5-[2-(ethylamino)ethoxy]-3,3-bis[2-[2-(ethylamino)ethoxy]ethyl]pentoxy]ethanamine
CID 143968135
3-methylsulfonyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine;molecular hydrogen
CID 178004452
N-ethyl-2-(2-methylsulfonylethylsulfanyl)ethanamine
CID 63658880

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methylsulfonylpropoxy)ethanamine?
The IUPAC name of N-ethyl-2-(3-methylsulfonylpropoxy)ethanamine (CID 63191293) is N-ethyl-2-(3-methylsulfonylpropoxy)ethanamine.
What is the SMILES notation for N-ethyl-2-(3-methylsulfonylpropoxy)ethanamine?
The canonical SMILES for N-ethyl-2-(3-methylsulfonylpropoxy)ethanamine is CCNCCOCCCS(C)(=O)=O.
What is the InChIKey of N-ethyl-2-(3-methylsulfonylpropoxy)ethanamine?
The InChIKey is HPAYUGWJSDSKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-3-9-5-7-12-6-4-8-13(2,10)11/h9H,3-8H2,1-2H3.
What are the key properties of N-ethyl-2-(3-methylsulfonylpropoxy)ethanamine?
N-ethyl-2-(3-methylsulfonylpropoxy)ethanamine has a molecular weight of 209.31 g/mol, XLogP of 0.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methylsulfonylpropoxy)ethanamine is sourced from PubChem (CID 63191293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).