1-[ethyl(sulfinato)amino]-1-oxopropane

C5H10NO3S- — CID 56977008

IUPAC1-[ethyl(sulfinato)amino]-1-oxopropane
SMILESCCC(=O)N(CC)S(=O)[O-]
InChIInChI=1S/C5H11NO3S/c1-3-5(7)6(4-2)10(8)9/h3-4H2,1-2H3,(H,8,9)/p-1
InChIKeyUDYBMLMXZUYYEC-UHFFFAOYSA-M
MW164.21 g/mol
LogP0.04
Rot. Bonds3

About 1-[ethyl(sulfinato)amino]-1-oxopropane

1-[ethyl(sulfinato)amino]-1-oxopropane (PubChem CID 56977008) has the molecular formula C5H10NO3S- and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-[ethyl(sulfinato)amino]-1-oxopropane.

Molecular Properties

Compound Name1-[ethyl(sulfinato)amino]-1-oxopropane
PubChem CID56977008
Molecular FormulaC5H10NO3S-
Molecular Weight164.21 g/mol
Exact Mass164.04
IUPAC Name1-[ethyl(sulfinato)amino]-1-oxopropane
SMILESCCC(=O)N(CC)S(=O)[O-]
InChIInChI=1S/C5H11NO3S/c1-3-5(7)6(4-2)10(8)9/h3-4H2,1-2H3,(H,8,9)/p-1
InChIKeyUDYBMLMXZUYYEC-UHFFFAOYSA-M
XLogP0.04
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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(sulfinato)amino]-1-oxopropane?
The IUPAC name of 1-[ethyl(sulfinato)amino]-1-oxopropane (CID 56977008) is 1-[ethyl(sulfinato)amino]-1-oxopropane.
What is the SMILES notation for 1-[ethyl(sulfinato)amino]-1-oxopropane?
The canonical SMILES for 1-[ethyl(sulfinato)amino]-1-oxopropane is CCC(=O)N(CC)S(=O)[O-].
What is the InChIKey of 1-[ethyl(sulfinato)amino]-1-oxopropane?
The InChIKey is UDYBMLMXZUYYEC-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11NO3S/c1-3-5(7)6(4-2)10(8)9/h3-4H2,1-2H3,(H,8,9)/p-1.
What are the key properties of 1-[ethyl(sulfinato)amino]-1-oxopropane?
1-[ethyl(sulfinato)amino]-1-oxopropane has a molecular weight of 164.21 g/mol, XLogP of 0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(sulfinato)amino]-1-oxopropane is sourced from PubChem (CID 56977008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).