2-[2-(methanesulfonamido)ethylamino]ethyl 2-methylprop-2-enoate

C9H18N2O4S — CID 139973076

IUPAC2-[2-(methanesulfonamido)ethylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNCCNS(C)(=O)=O
InChIInChI=1S/C9H18N2O4S/c1-8(2)9(12)15-7-6-10-4-5-11-16(3,13)14/h10-11H,1,4-7H2,2-3H3
InChIKeyWOQUCJOGXCIJEE-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.76
Rot. Bonds8

About 2-[2-(methanesulfonamido)ethylamino]ethyl 2-methylprop-2-enoate

2-[2-(methanesulfonamido)ethylamino]ethyl 2-methylprop-2-enoate (PubChem CID 139973076) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-[2-(methanesulfonamido)ethylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-(methanesulfonamido)ethylamino]ethyl 2-methylprop-2-enoate
PubChem CID139973076
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name2-[2-(methanesulfonamido)ethylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNCCNS(C)(=O)=O
InChIInChI=1S/C9H18N2O4S/c1-8(2)9(12)15-7-6-10-4-5-11-16(3,13)14/h10-11H,1,4-7H2,2-3H3
InChIKeyWOQUCJOGXCIJEE-UHFFFAOYSA-N
XLogP-0.76
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.76
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methanesulfonamido)ethylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-(methanesulfonamido)ethylamino]ethyl 2-methylprop-2-enoate (CID 139973076) is 2-[2-(methanesulfonamido)ethylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-(methanesulfonamido)ethylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-(methanesulfonamido)ethylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNCCNS(C)(=O)=O.
What is the InChIKey of 2-[2-(methanesulfonamido)ethylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is WOQUCJOGXCIJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-8(2)9(12)15-7-6-10-4-5-11-16(3,13)14/h10-11H,1,4-7H2,2-3H3.
What are the key properties of 2-[2-(methanesulfonamido)ethylamino]ethyl 2-methylprop-2-enoate?
2-[2-(methanesulfonamido)ethylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 250.32 g/mol, XLogP of -0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methanesulfonamido)ethylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 139973076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).