N-[2-(3-ethoxypropylsulfinyl)ethyl]-2-methylpropan-1-amine

C11H25NO2S — CID 134579860

IUPACN-[2-(3-ethoxypropylsulfinyl)ethyl]-2-methylpropan-1-amine
SMILESCCOCCCS(=O)CCNCC(C)C
InChIInChI=1S/C11H25NO2S/c1-4-14-7-5-8-15(13)9-6-12-10-11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyLDFPOKDHXWBVCB-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.41
Rot. Bonds10

About N-[2-(3-ethoxypropylsulfinyl)ethyl]-2-methylpropan-1-amine

N-[2-(3-ethoxypropylsulfinyl)ethyl]-2-methylpropan-1-amine (PubChem CID 134579860) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is N-[2-(3-ethoxypropylsulfinyl)ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(3-ethoxypropylsulfinyl)ethyl]-2-methylpropan-1-amine
PubChem CID134579860
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC NameN-[2-(3-ethoxypropylsulfinyl)ethyl]-2-methylpropan-1-amine
SMILESCCOCCCS(=O)CCNCC(C)C
InChIInChI=1S/C11H25NO2S/c1-4-14-7-5-8-15(13)9-6-12-10-11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyLDFPOKDHXWBVCB-UHFFFAOYSA-N
XLogP1.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethoxypropylsulfinyl)ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(3-ethoxypropylsulfinyl)ethyl]-2-methylpropan-1-amine (CID 134579860) is N-[2-(3-ethoxypropylsulfinyl)ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(3-ethoxypropylsulfinyl)ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(3-ethoxypropylsulfinyl)ethyl]-2-methylpropan-1-amine is CCOCCCS(=O)CCNCC(C)C.
What is the InChIKey of N-[2-(3-ethoxypropylsulfinyl)ethyl]-2-methylpropan-1-amine?
The InChIKey is LDFPOKDHXWBVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-4-14-7-5-8-15(13)9-6-12-10-11(2)3/h11-12H,4-10H2,1-3H3.
What are the key properties of N-[2-(3-ethoxypropylsulfinyl)ethyl]-2-methylpropan-1-amine?
N-[2-(3-ethoxypropylsulfinyl)ethyl]-2-methylpropan-1-amine has a molecular weight of 235.39 g/mol, XLogP of 1.41, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethoxypropylsulfinyl)ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 134579860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).