methyl 2-ethyl-4-[2-(methanesulfonamido)ethylamino]but-2-enoate

C10H20N2O4S — CID 103239007

IUPACmethyl 2-ethyl-4-[2-(methanesulfonamido)ethylamino]but-2-enoate
SMILESCCC(=CCNCCNS(C)(=O)=O)C(=O)OC
InChIInChI=1S/C10H20N2O4S/c1-4-9(10(13)16-2)5-6-11-7-8-12-17(3,14)15/h5,11-12H,4,6-8H2,1-3H3
InChIKeyUJYYRZSQGYAHON-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.37
Rot. Bonds8

About methyl 2-ethyl-4-[2-(methanesulfonamido)ethylamino]but-2-enoate

methyl 2-ethyl-4-[2-(methanesulfonamido)ethylamino]but-2-enoate (PubChem CID 103239007) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is methyl 2-ethyl-4-[2-(methanesulfonamido)ethylamino]but-2-enoate.

Molecular Properties

Compound Namemethyl 2-ethyl-4-[2-(methanesulfonamido)ethylamino]but-2-enoate
PubChem CID103239007
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Namemethyl 2-ethyl-4-[2-(methanesulfonamido)ethylamino]but-2-enoate
SMILESCCC(=CCNCCNS(C)(=O)=O)C(=O)OC
InChIInChI=1S/C10H20N2O4S/c1-4-9(10(13)16-2)5-6-11-7-8-12-17(3,14)15/h5,11-12H,4,6-8H2,1-3H3
InChIKeyUJYYRZSQGYAHON-UHFFFAOYSA-N
XLogP-0.37
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-ethyl-4-[methyl-[2-(methylamino)ethyl]amino]but-2-enoate
CID 77101899
Methyl 2-ethyl-4-(4-methylsulfonylpiperazin-1-yl)but-2-enoate
CID 77102441
methyl (Z)-4-[2-(diethylamino)ethylamino]-2-ethylbut-2-enoate
CID 103234082
Methyl 4-[2-(dimethylamino)ethylamino]-2-ethylbut-2-enoate
CID 103235264
2-Ethyl-4-[2-(methanesulfonamido)ethylamino]but-2-enoic acid
CID 103239012
Methyl 4-[2-(methanesulfonamido)ethylamino]-2-methylbut-2-enoate
CID 103239032
Methyl 2-ethyl-4-[(1-methylsulfonylpiperidin-4-yl)amino]but-2-enoate
CID 103239401
Methyl 2-ethyl-4-(2-methylsulfonylethylamino)but-2-enoate
CID 103240247
methyl (Z)-2-ethyl-4-[3-[ethyl(methylsulfonyl)amino]propylamino]but-2-enoate
CID 103241540
Methyl 2-ethyl-4-(3-methylsulfonylpropylamino)but-2-enoate
CID 103242044
Methyl 4-(2-aminoethylamino)-2-ethylbut-2-enoate
CID 103248191
methyl (Z)-2-ethyl-4-[2-[ethyl(methyl)amino]ethylamino]but-2-enoate
CID 103249176

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-4-[2-(methanesulfonamido)ethylamino]but-2-enoate?
The IUPAC name of methyl 2-ethyl-4-[2-(methanesulfonamido)ethylamino]but-2-enoate (CID 103239007) is methyl 2-ethyl-4-[2-(methanesulfonamido)ethylamino]but-2-enoate.
What is the SMILES notation for methyl 2-ethyl-4-[2-(methanesulfonamido)ethylamino]but-2-enoate?
The canonical SMILES for methyl 2-ethyl-4-[2-(methanesulfonamido)ethylamino]but-2-enoate is CCC(=CCNCCNS(C)(=O)=O)C(=O)OC.
What is the InChIKey of methyl 2-ethyl-4-[2-(methanesulfonamido)ethylamino]but-2-enoate?
The InChIKey is UJYYRZSQGYAHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-4-9(10(13)16-2)5-6-11-7-8-12-17(3,14)15/h5,11-12H,4,6-8H2,1-3H3.
What are the key properties of methyl 2-ethyl-4-[2-(methanesulfonamido)ethylamino]but-2-enoate?
methyl 2-ethyl-4-[2-(methanesulfonamido)ethylamino]but-2-enoate has a molecular weight of 264.35 g/mol, XLogP of -0.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-4-[2-(methanesulfonamido)ethylamino]but-2-enoate is sourced from PubChem (CID 103239007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).