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

C10H23NO3S — CID 103409694

IUPACN-(2-ethylsulfinylethyl)-3-(2-methoxyethoxy)propan-1-amine
SMILESCCS(=O)CCNCCCOCCOC
InChIInChI=1S/C10H23NO3S/c1-3-15(12)10-6-11-5-4-7-14-9-8-13-2/h11H,3-10H2,1-2H3
InChIKeyHKTPTPVZIMPARY-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.40
Rot. Bonds11

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

N-(2-ethylsulfinylethyl)-3-(2-methoxyethoxy)propan-1-amine (PubChem CID 103409694) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is N-(2-ethylsulfinylethyl)-3-(2-methoxyethoxy)propan-1-amine.

Molecular Properties

Compound NameN-(2-ethylsulfinylethyl)-3-(2-methoxyethoxy)propan-1-amine
PubChem CID103409694
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC NameN-(2-ethylsulfinylethyl)-3-(2-methoxyethoxy)propan-1-amine
SMILESCCS(=O)CCNCCCOCCOC
InChIInChI=1S/C10H23NO3S/c1-3-15(12)10-6-11-5-4-7-14-9-8-13-2/h11H,3-10H2,1-2H3
InChIKeyHKTPTPVZIMPARY-UHFFFAOYSA-N
XLogP0.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 50.40
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-[3-(2-methoxyethoxy)propyl]hexan-1-amine
CID 28880105
3-methoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104561644
3-(2-methoxyethoxy)-N-(3-methylsulfonylpropyl)propan-1-amine
CID 103409415
3-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-methylbutan-1-amine
CID 106675103
ethyl 4-[3-(2-methoxyethoxy)propylamino]butanoate
CID 103605712
6-bromo-N-[3-(2-methoxyethoxy)propyl]hexan-1-amine
CID 107844046
3-methoxy-N-[2-(2-propoxyethoxy)ethyl]propan-1-amine
CID 63685704
N-[2-(2-ethoxyethoxy)ethyl]-3-methoxypropan-1-amine
CID 62565586
2-ethyl-N-[3-(2-methoxyethoxy)propyl]butan-1-amine
CID 28720680
bis(1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane);2-methoxy-N-(2-methoxyethyl)ethanamine
CID 87204076
N-ethyl-3-(3-methoxypropoxy)propan-1-amine
CID 62442625
N-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-2-methylpropan-1-amine
CID 104560835

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfinylethyl)-3-(2-methoxyethoxy)propan-1-amine?
The IUPAC name of N-(2-ethylsulfinylethyl)-3-(2-methoxyethoxy)propan-1-amine (CID 103409694) is N-(2-ethylsulfinylethyl)-3-(2-methoxyethoxy)propan-1-amine.
What is the SMILES notation for N-(2-ethylsulfinylethyl)-3-(2-methoxyethoxy)propan-1-amine?
The canonical SMILES for N-(2-ethylsulfinylethyl)-3-(2-methoxyethoxy)propan-1-amine is CCS(=O)CCNCCCOCCOC.
What is the InChIKey of N-(2-ethylsulfinylethyl)-3-(2-methoxyethoxy)propan-1-amine?
The InChIKey is HKTPTPVZIMPARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-3-15(12)10-6-11-5-4-7-14-9-8-13-2/h11H,3-10H2,1-2H3.
What are the key properties of N-(2-ethylsulfinylethyl)-3-(2-methoxyethoxy)propan-1-amine?
N-(2-ethylsulfinylethyl)-3-(2-methoxyethoxy)propan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 0.40, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfinylethyl)-3-(2-methoxyethoxy)propan-1-amine is sourced from PubChem (CID 103409694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).