methyl (Z)-4-(2-ethylsulfinylethylamino)-2-methylbut-2-enoate

C10H19NO3S — CID 103266852

IUPACmethyl (Z)-4-(2-ethylsulfinylethylamino)-2-methylbut-2-enoate
SMILESCCS(=O)CCNC/C=C(/C)C(=O)OC
InChIInChI=1S/C10H19NO3S/c1-4-15(13)8-7-11-6-5-9(2)10(12)14-3/h5,11H,4,6-8H2,1-3H3/b9-5-
InChIKeyRNCKCEZWEOWYKS-UITAMQMPSA-N
MW233.33 g/mol
LogP0.46
Rot. Bonds7

About methyl (Z)-4-(2-ethylsulfinylethylamino)-2-methylbut-2-enoate

methyl (Z)-4-(2-ethylsulfinylethylamino)-2-methylbut-2-enoate (PubChem CID 103266852) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is methyl (Z)-4-(2-ethylsulfinylethylamino)-2-methylbut-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-4-(2-ethylsulfinylethylamino)-2-methylbut-2-enoate
PubChem CID103266852
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Namemethyl (Z)-4-(2-ethylsulfinylethylamino)-2-methylbut-2-enoate
SMILESCCS(=O)CCNC/C=C(/C)C(=O)OC
InChIInChI=1S/C10H19NO3S/c1-4-15(13)8-7-11-6-5-9(2)10(12)14-3/h5,11H,4,6-8H2,1-3H3/b9-5-
InChIKeyRNCKCEZWEOWYKS-UITAMQMPSA-N
XLogP0.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (Z)-4-[2-[ethyl(methyl)amino]ethylamino]-2-methylbut-2-enoate
CID 103249206
methyl 2-methyl-4-(2-propan-2-yloxyethylamino)but-2-enoate
CID 103266527
methyl 4-[3-(methanesulfonamido)propylamino]-2-methylbut-2-enoate
CID 106340200
methyl 2-ethyl-4-(3-methylsulfinylpropylamino)but-2-enoate
CID 103264976
methyl 2-methyl-4-(2-prop-2-ynylsulfanylethylamino)but-2-enoate
CID 106429936
methyl 4-[[2-(dimethylamino)-2-methylpropyl]amino]-2-methylbut-2-enoate
CID 103247480
methyl (E)-2-methylhex-2-enoate
CID 5364816
methyl 4-(tert-butylamino)-2-methylbut-2-enoate
CID 103728179
methyl (E)-4-[2-(5-chlorothiophen-2-yl)ethylamino]-2-methylbut-2-enoate
CID 106036866
methyl (Z)-2-methyl-4-(3-methylpentan-2-ylamino)but-2-enoate
CID 104577680
methyl (E)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoate
CID 14539281
N-(2-ethylsulfinylethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 103409694

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-4-(2-ethylsulfinylethylamino)-2-methylbut-2-enoate?
The IUPAC name of methyl (Z)-4-(2-ethylsulfinylethylamino)-2-methylbut-2-enoate (CID 103266852) is methyl (Z)-4-(2-ethylsulfinylethylamino)-2-methylbut-2-enoate.
What is the SMILES notation for methyl (Z)-4-(2-ethylsulfinylethylamino)-2-methylbut-2-enoate?
The canonical SMILES for methyl (Z)-4-(2-ethylsulfinylethylamino)-2-methylbut-2-enoate is CCS(=O)CCNC/C=C(/C)C(=O)OC.
What is the InChIKey of methyl (Z)-4-(2-ethylsulfinylethylamino)-2-methylbut-2-enoate?
The InChIKey is RNCKCEZWEOWYKS-UITAMQMPSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-4-15(13)8-7-11-6-5-9(2)10(12)14-3/h5,11H,4,6-8H2,1-3H3/b9-5-.
What are the key properties of methyl (Z)-4-(2-ethylsulfinylethylamino)-2-methylbut-2-enoate?
methyl (Z)-4-(2-ethylsulfinylethylamino)-2-methylbut-2-enoate has a molecular weight of 233.33 g/mol, XLogP of 0.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4-(2-ethylsulfinylethylamino)-2-methylbut-2-enoate is sourced from PubChem (CID 103266852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).