3-(2-methoxyethoxy)-N-(3-methylsulfonylpropyl)propan-1-amine

C10H23NO4S — CID 103409415

IUPAC3-(2-methoxyethoxy)-N-(3-methylsulfonylpropyl)propan-1-amine
SMILESCOCCOCCCNCCCS(C)(=O)=O
InChIInChI=1S/C10H23NO4S/c1-14-8-9-15-7-3-5-11-6-4-10-16(2,12)13/h11H,3-10H2,1-2H3
InChIKeyYJRNYXIUCVFJEC-UHFFFAOYSA-N
MW253.36 g/mol
LogP0.06
Rot. Bonds11

About 3-(2-methoxyethoxy)-N-(3-methylsulfonylpropyl)propan-1-amine

3-(2-methoxyethoxy)-N-(3-methylsulfonylpropyl)propan-1-amine (PubChem CID 103409415) has the molecular formula C10H23NO4S and a molecular weight of 253.36 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-(3-methylsulfonylpropyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-(3-methylsulfonylpropyl)propan-1-amine
PubChem CID103409415
Molecular FormulaC10H23NO4S
Molecular Weight253.36 g/mol
Exact Mass253.13
IUPAC Name3-(2-methoxyethoxy)-N-(3-methylsulfonylpropyl)propan-1-amine
SMILESCOCCOCCCNCCCS(C)(=O)=O
InChIInChI=1S/C10H23NO4S/c1-14-8-9-15-7-3-5-11-6-4-10-16(2,12)13/h11H,3-10H2,1-2H3
InChIKeyYJRNYXIUCVFJEC-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

N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-methylsulfonylpropan-1-amine
CID 104561861
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(3-methylsulfonylpropyl)guanidine
CID 111405045
3-methylsulfonyl-N-(2-propoxyethyl)propan-1-amine
CID 106451726
3-methylsulfonyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 178004453
3-methoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104561644
methyl 3-(3-methylsulfonylpropylamino)propanoate
CID 61019742
N-[3-(2-methoxyethoxy)propyl]-4-(propylamino)butane-1-sulfonamide
CID 106001805
1-methylsulfonyl-3-(3-methylsulfonylpropoxy)propane
CID 91149824
N-(3-ethylsulfonylpropyl)-3-methoxypropan-1-amine
CID 65092824
N-[1-[3-(2-methoxyethoxy)propylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 103409513
3-methylsulfonyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine;molecular hydrogen
CID 178004452
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-methylsulfonylpentanamide
CID 177226030

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-(3-methylsulfonylpropyl)propan-1-amine?
The IUPAC name of 3-(2-methoxyethoxy)-N-(3-methylsulfonylpropyl)propan-1-amine (CID 103409415) is 3-(2-methoxyethoxy)-N-(3-methylsulfonylpropyl)propan-1-amine.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-(3-methylsulfonylpropyl)propan-1-amine?
The canonical SMILES for 3-(2-methoxyethoxy)-N-(3-methylsulfonylpropyl)propan-1-amine is COCCOCCCNCCCS(C)(=O)=O.
What is the InChIKey of 3-(2-methoxyethoxy)-N-(3-methylsulfonylpropyl)propan-1-amine?
The InChIKey is YJRNYXIUCVFJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO4S/c1-14-8-9-15-7-3-5-11-6-4-10-16(2,12)13/h11H,3-10H2,1-2H3.
What are the key properties of 3-(2-methoxyethoxy)-N-(3-methylsulfonylpropyl)propan-1-amine?
3-(2-methoxyethoxy)-N-(3-methylsulfonylpropyl)propan-1-amine 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 3-(2-methoxyethoxy)-N-(3-methylsulfonylpropyl)propan-1-amine is sourced from PubChem (CID 103409415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).