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

C6H9ClNO4S- — CID 59339966

IUPAC2-chloro-3-[2-[methyl(sulfinato)amino]ethoxy]-3-oxoprop-1-ene
SMILESC=C(Cl)C(=O)OCCN(C)S(=O)[O-]
InChIInChI=1S/C6H10ClNO4S/c1-5(7)6(9)12-4-3-8(2)13(10)11/h1,3-4H2,2H3,(H,10,11)/p-1
InChIKeyUKBSCEXQTMVQNT-UHFFFAOYSA-M
MW226.66 g/mol
LogP0.01
Rot. Bonds5

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

2-chloro-3-[2-[methyl(sulfinato)amino]ethoxy]-3-oxoprop-1-ene (PubChem CID 59339966) has the molecular formula C6H9ClNO4S- and a molecular weight of 226.66 g/mol. Its IUPAC name is 2-chloro-3-[2-[methyl(sulfinato)amino]ethoxy]-3-oxoprop-1-ene.

Molecular Properties

Compound Name2-chloro-3-[2-[methyl(sulfinato)amino]ethoxy]-3-oxoprop-1-ene
PubChem CID59339966
Molecular FormulaC6H9ClNO4S-
Molecular Weight226.66 g/mol
Exact Mass225.99
IUPAC Name2-chloro-3-[2-[methyl(sulfinato)amino]ethoxy]-3-oxoprop-1-ene
SMILESC=C(Cl)C(=O)OCCN(C)S(=O)[O-]
InChIInChI=1S/C6H10ClNO4S/c1-5(7)6(9)12-4-3-8(2)13(10)11/h1,3-4H2,2H3,(H,10,11)/p-1
InChIKeyUKBSCEXQTMVQNT-UHFFFAOYSA-M
XLogP0.01
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
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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Related Compounds

2-chloro-3-[2-[methyl(sulfinato)amino]ethoxy]-3-oxoprop-1-ene;rutherfordium
CID 59339965
tetradecyl 2-chloroprop-2-enoate
CID 54118378
bromomethyl 2-chloroprop-2-enoate
CID 139854962
1-amino-2-methyl-4-[methyl(sulfinato)amino]-1-oxobutane
CID 175267118
2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161393762
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde
CID 142905886
2-[2-acetyloxyethyl(methyl)amino]ethyl 2-methylprop-2-enoate
CID 88902342
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethanamine;hydrobromide
CID 175228289
2-(dimethylamino)ethyl 2-amino-2-oxoacetate
CID 89128247
2-[methoxysulfinyl(methyl)amino]ethyl acetate;methyl acetate
CID 54258807
butanedioic acid;2-(dimethylamino)ethyl 2-methylprop-2-enoate
CID 19967472
bis[2-[carbonochloridoyl(methyl)amino]ethyl] carbonate
CID 175058672

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[2-[methyl(sulfinato)amino]ethoxy]-3-oxoprop-1-ene?
The IUPAC name of 2-chloro-3-[2-[methyl(sulfinato)amino]ethoxy]-3-oxoprop-1-ene (CID 59339966) is 2-chloro-3-[2-[methyl(sulfinato)amino]ethoxy]-3-oxoprop-1-ene.
What is the SMILES notation for 2-chloro-3-[2-[methyl(sulfinato)amino]ethoxy]-3-oxoprop-1-ene?
The canonical SMILES for 2-chloro-3-[2-[methyl(sulfinato)amino]ethoxy]-3-oxoprop-1-ene is C=C(Cl)C(=O)OCCN(C)S(=O)[O-].
What is the InChIKey of 2-chloro-3-[2-[methyl(sulfinato)amino]ethoxy]-3-oxoprop-1-ene?
The InChIKey is UKBSCEXQTMVQNT-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H10ClNO4S/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?
2-chloro-3-[2-[methyl(sulfinato)amino]ethoxy]-3-oxoprop-1-ene has a molecular weight of 226.66 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 is sourced from PubChem (CID 59339966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).