N-(2-methylsulfonylethyl)-2-(2-propoxyethoxy)ethanamine

C10H23NO4S — CID 63685909

IUPACN-(2-methylsulfonylethyl)-2-(2-propoxyethoxy)ethanamine
SMILESCCCOCCOCCNCCS(C)(=O)=O
InChIInChI=1S/C10H23NO4S/c1-3-6-14-8-9-15-7-4-11-5-10-16(2,12)13/h11H,3-10H2,1-2H3
InChIKeyCOABVKBVAHWHBB-UHFFFAOYSA-N
MW253.36 g/mol
LogP0.06
Rot. Bonds11

About N-(2-methylsulfonylethyl)-2-(2-propoxyethoxy)ethanamine

N-(2-methylsulfonylethyl)-2-(2-propoxyethoxy)ethanamine (PubChem CID 63685909) has the molecular formula C10H23NO4S and a molecular weight of 253.36 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-2-(2-propoxyethoxy)ethanamine.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-2-(2-propoxyethoxy)ethanamine
PubChem CID63685909
Molecular FormulaC10H23NO4S
Molecular Weight253.36 g/mol
Exact Mass253.13
IUPAC NameN-(2-methylsulfonylethyl)-2-(2-propoxyethoxy)ethanamine
SMILESCCCOCCOCCNCCS(C)(=O)=O
InChIInChI=1S/C10H23NO4S/c1-3-6-14-8-9-15-7-4-11-5-10-16(2,12)13/h11H,3-10H2,1-2H3
InChIKeyCOABVKBVAHWHBB-UHFFFAOYSA-N
XLogP0.06
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methylsulfonyl-N-(2-propoxyethyl)propan-1-amine
CID 106451726
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-methylsulfonylpropan-1-amine
CID 104561861
N-ethyl-2-(3-methylsulfonylpropoxy)ethanamine
CID 63191293
2-[2-(2-methoxyethoxy)ethoxy]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]ethanamine
CID 130284119
2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine
CID 87914124
2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethanamine
CID 156719251
2-(2-ethoxyethylamino)ethanesulfonamide
CID 114384811
3-methylsulfonyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 178004453
N-[2-(2,2-dimethylpropoxy)ethyl]-2-[2-(2-propoxyethoxy)ethoxy]ethanamine
CID 172821329
N-(2-methylsulfonylethyl)nonan-1-amine
CID 60918921
2-ethyl-N-[2-(2-methylsulfonylethoxy)ethyl]butan-1-amine
CID 115756976
3-methylsulfonyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine;molecular hydrogen
CID 178004452

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-2-(2-propoxyethoxy)ethanamine?
The IUPAC name of N-(2-methylsulfonylethyl)-2-(2-propoxyethoxy)ethanamine (CID 63685909) is N-(2-methylsulfonylethyl)-2-(2-propoxyethoxy)ethanamine.
What is the SMILES notation for N-(2-methylsulfonylethyl)-2-(2-propoxyethoxy)ethanamine?
The canonical SMILES for N-(2-methylsulfonylethyl)-2-(2-propoxyethoxy)ethanamine is CCCOCCOCCNCCS(C)(=O)=O.
What is the InChIKey of N-(2-methylsulfonylethyl)-2-(2-propoxyethoxy)ethanamine?
The InChIKey is COABVKBVAHWHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO4S/c1-3-6-14-8-9-15-7-4-11-5-10-16(2,12)13/h11H,3-10H2,1-2H3.
What are the key properties of N-(2-methylsulfonylethyl)-2-(2-propoxyethoxy)ethanamine?
N-(2-methylsulfonylethyl)-2-(2-propoxyethoxy)ethanamine has a molecular weight of 253.36 g/mol, XLogP of 0.06, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-2-(2-propoxyethoxy)ethanamine is sourced from PubChem (CID 63685909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).