1-(3-ethoxypropylsulfinyl)propan-2-amine

C8H19NO2S — CID 81189662

IUPAC1-(3-ethoxypropylsulfinyl)propan-2-amine
SMILESCCOCCCS(=O)CC(C)N
InChIInChI=1S/C8H19NO2S/c1-3-11-5-4-6-12(10)7-8(2)9/h8H,3-7,9H2,1-2H3
InChIKeyMWKVMUDQYHDWFV-UHFFFAOYSA-N
MW193.31 g/mol
LogP0.51
Rot. Bonds7

About 1-(3-ethoxypropylsulfinyl)propan-2-amine

1-(3-ethoxypropylsulfinyl)propan-2-amine (PubChem CID 81189662) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is 1-(3-ethoxypropylsulfinyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-ethoxypropylsulfinyl)propan-2-amine
PubChem CID81189662
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Name1-(3-ethoxypropylsulfinyl)propan-2-amine
SMILESCCOCCCS(=O)CC(C)N
InChIInChI=1S/C8H19NO2S/c1-3-11-5-4-6-12(10)7-8(2)9/h8H,3-7,9H2,1-2H3
InChIKeyMWKVMUDQYHDWFV-UHFFFAOYSA-N
XLogP0.51
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 50.51
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 1-(3-ethoxypropylsulfinyl)propan-2-amine?
The IUPAC name of 1-(3-ethoxypropylsulfinyl)propan-2-amine (CID 81189662) is 1-(3-ethoxypropylsulfinyl)propan-2-amine.
What is the SMILES notation for 1-(3-ethoxypropylsulfinyl)propan-2-amine?
The canonical SMILES for 1-(3-ethoxypropylsulfinyl)propan-2-amine is CCOCCCS(=O)CC(C)N.
What is the InChIKey of 1-(3-ethoxypropylsulfinyl)propan-2-amine?
The InChIKey is MWKVMUDQYHDWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-3-11-5-4-6-12(10)7-8(2)9/h8H,3-7,9H2,1-2H3.
What are the key properties of 1-(3-ethoxypropylsulfinyl)propan-2-amine?
1-(3-ethoxypropylsulfinyl)propan-2-amine has a molecular weight of 193.31 g/mol, XLogP of 0.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropylsulfinyl)propan-2-amine is sourced from PubChem (CID 81189662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).