2-chloro-3-[2-[methyl(sulfinato)amino]ethoxy]-3-oxoprop-1-ene;rutherfordium

C6H9ClNO4RfS- — CID 59339965

IUPAC2-chloro-3-[2-[methyl(sulfinato)amino]ethoxy]-3-oxoprop-1-ene;rutherfordium
SMILESC=C(Cl)C(=O)OCCN(C)S(=O)[O-].[Rf]
InChIInChI=1S/C6H10ClNO4S.Rf/c1-5(7)6(9)12-4-3-8(2)13(10)11;/h1,3-4H2,2H3,(H,10,11);/p-1
InChIKeyPGBPBKUEBKAPOV-UHFFFAOYSA-M
MW493.66 g/mol
LogP0.01
Rot. Bonds5

About 2-chloro-3-[2-[methyl(sulfinato)amino]ethoxy]-3-oxoprop-1-ene;rutherfordium

2-chloro-3-[2-[methyl(sulfinato)amino]ethoxy]-3-oxoprop-1-ene;rutherfordium (PubChem CID 59339965) has the molecular formula C6H9ClNO4RfS- and a molecular weight of 493.66 g/mol. Its IUPAC name is 2-chloro-3-[2-[methyl(sulfinato)amino]ethoxy]-3-oxoprop-1-ene;rutherfordium.

Molecular Properties

Compound Name2-chloro-3-[2-[methyl(sulfinato)amino]ethoxy]-3-oxoprop-1-ene;rutherfordium
PubChem CID59339965
Molecular FormulaC6H9ClNO4RfS-
Molecular Weight493.66 g/mol
Exact Mass493.12
IUPAC Name2-chloro-3-[2-[methyl(sulfinato)amino]ethoxy]-3-oxoprop-1-ene;rutherfordium
SMILESC=C(Cl)C(=O)OCCN(C)S(=O)[O-].[Rf]
InChIInChI=1S/C6H10ClNO4S.Rf/c1-5(7)6(9)12-4-3-8(2)13(10)11;/h1,3-4H2,2H3,(H,10,11);/p-1
InChIKeyPGBPBKUEBKAPOV-UHFFFAOYSA-M
XLogP0.01
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.66
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[2-[methyl(sulfinato)amino]ethoxy]-3-oxoprop-1-ene;rutherfordium?
The IUPAC name of 2-chloro-3-[2-[methyl(sulfinato)amino]ethoxy]-3-oxoprop-1-ene;rutherfordium (CID 59339965) is 2-chloro-3-[2-[methyl(sulfinato)amino]ethoxy]-3-oxoprop-1-ene;rutherfordium.
What is the SMILES notation for 2-chloro-3-[2-[methyl(sulfinato)amino]ethoxy]-3-oxoprop-1-ene;rutherfordium?
The canonical SMILES for 2-chloro-3-[2-[methyl(sulfinato)amino]ethoxy]-3-oxoprop-1-ene;rutherfordium is C=C(Cl)C(=O)OCCN(C)S(=O)[O-].[Rf].
What is the InChIKey of 2-chloro-3-[2-[methyl(sulfinato)amino]ethoxy]-3-oxoprop-1-ene;rutherfordium?
The InChIKey is PGBPBKUEBKAPOV-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H10ClNO4S.Rf/c1-5(7)6(9)12-4-3-8(2)13(10)11;/h1,3-4H2,2H3,(H,10,11);/p-1.
What are the key properties of 2-chloro-3-[2-[methyl(sulfinato)amino]ethoxy]-3-oxoprop-1-ene;rutherfordium?
2-chloro-3-[2-[methyl(sulfinato)amino]ethoxy]-3-oxoprop-1-ene;rutherfordium has a molecular weight of 493.66 g/mol, XLogP of 0.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[2-[methyl(sulfinato)amino]ethoxy]-3-oxoprop-1-ene;rutherfordium is sourced from PubChem (CID 59339965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).