2-[ethyl(methylsulfonyl)amino]ethyl 2-methylprop-2-enoate

C9H17NO4S — CID 21359022

IUPAC2-[ethyl(methylsulfonyl)amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(CC)S(C)(=O)=O
InChIInChI=1S/C9H17NO4S/c1-5-10(15(4,12)13)6-7-14-9(11)8(2)3/h2,5-7H2,1,3-4H3
InChIKeyZXJWTOLKBWRKKY-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.39
Rot. Bonds6

About 2-[ethyl(methylsulfonyl)amino]ethyl 2-methylprop-2-enoate

2-[ethyl(methylsulfonyl)amino]ethyl 2-methylprop-2-enoate (PubChem CID 21359022) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-[ethyl(methylsulfonyl)amino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[ethyl(methylsulfonyl)amino]ethyl 2-methylprop-2-enoate
PubChem CID21359022
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name2-[ethyl(methylsulfonyl)amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(CC)S(C)(=O)=O
InChIInChI=1S/C9H17NO4S/c1-5-10(15(4,12)13)6-7-14-9(11)8(2)3/h2,5-7H2,1,3-4H3
InChIKeyZXJWTOLKBWRKKY-UHFFFAOYSA-N
XLogP0.39
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methylsulfonyl)amino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[ethyl(methylsulfonyl)amino]ethyl 2-methylprop-2-enoate (CID 21359022) is 2-[ethyl(methylsulfonyl)amino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[ethyl(methylsulfonyl)amino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[ethyl(methylsulfonyl)amino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCN(CC)S(C)(=O)=O.
What is the InChIKey of 2-[ethyl(methylsulfonyl)amino]ethyl 2-methylprop-2-enoate?
The InChIKey is ZXJWTOLKBWRKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-5-10(15(4,12)13)6-7-14-9(11)8(2)3/h2,5-7H2,1,3-4H3.
What are the key properties of 2-[ethyl(methylsulfonyl)amino]ethyl 2-methylprop-2-enoate?
2-[ethyl(methylsulfonyl)amino]ethyl 2-methylprop-2-enoate has a molecular weight of 235.30 g/mol, XLogP of 0.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methylsulfonyl)amino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 21359022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).