1-[ethyl(sulfino)amino]propane

C5H13NO2S — CID 20575325

IUPAC1-[ethyl(sulfino)amino]propane
SMILESCCCN(CC)S(=O)O
InChIInChI=1S/C5H13NO2S/c1-3-5-6(4-2)9(7)8/h3-5H2,1-2H3,(H,7,8)
InChIKeyYVNJRIIHNPAFPN-UHFFFAOYSA-N
MW151.23 g/mol
LogP0.86
Rot. Bonds4

About 1-[ethyl(sulfino)amino]propane

1-[ethyl(sulfino)amino]propane (PubChem CID 20575325) has the molecular formula C5H13NO2S and a molecular weight of 151.23 g/mol. Its IUPAC name is 1-[ethyl(sulfino)amino]propane.

Molecular Properties

Compound Name1-[ethyl(sulfino)amino]propane
PubChem CID20575325
Molecular FormulaC5H13NO2S
Molecular Weight151.23 g/mol
Exact Mass151.07
IUPAC Name1-[ethyl(sulfino)amino]propane
SMILESCCCN(CC)S(=O)O
InChIInChI=1S/C5H13NO2S/c1-3-5-6(4-2)9(7)8/h3-5H2,1-2H3,(H,7,8)
InChIKeyYVNJRIIHNPAFPN-UHFFFAOYSA-N
XLogP0.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(sulfino)amino]propane?
The IUPAC name of 1-[ethyl(sulfino)amino]propane (CID 20575325) is 1-[ethyl(sulfino)amino]propane.
What is the SMILES notation for 1-[ethyl(sulfino)amino]propane?
The canonical SMILES for 1-[ethyl(sulfino)amino]propane is CCCN(CC)S(=O)O.
What is the InChIKey of 1-[ethyl(sulfino)amino]propane?
The InChIKey is YVNJRIIHNPAFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S/c1-3-5-6(4-2)9(7)8/h3-5H2,1-2H3,(H,7,8).
What are the key properties of 1-[ethyl(sulfino)amino]propane?
1-[ethyl(sulfino)amino]propane has a molecular weight of 151.23 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(sulfino)amino]propane is sourced from PubChem (CID 20575325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).