4-[2-(methanesulfonamido)ethyl-methylsulfonylamino]butyl 2-methylprop-2-enoate

C12H24N2O6S2 — CID 139970875

IUPAC4-[2-(methanesulfonamido)ethyl-methylsulfonylamino]butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCN(CCNS(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C12H24N2O6S2/c1-11(2)12(15)20-10-6-5-8-14(22(4,18)19)9-7-13-21(3,16)17/h13H,1,5-10H2,2-4H3
InChIKeyUENZJOPAUGBORL-UHFFFAOYSA-N
MW356.47 g/mol
LogP-0.30
Rot. Bonds11

About 4-[2-(methanesulfonamido)ethyl-methylsulfonylamino]butyl 2-methylprop-2-enoate

4-[2-(methanesulfonamido)ethyl-methylsulfonylamino]butyl 2-methylprop-2-enoate (PubChem CID 139970875) has the molecular formula C12H24N2O6S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-[2-(methanesulfonamido)ethyl-methylsulfonylamino]butyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-[2-(methanesulfonamido)ethyl-methylsulfonylamino]butyl 2-methylprop-2-enoate
PubChem CID139970875
Molecular FormulaC12H24N2O6S2
Molecular Weight356.47 g/mol
Exact Mass356.11
IUPAC Name4-[2-(methanesulfonamido)ethyl-methylsulfonylamino]butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCN(CCNS(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C12H24N2O6S2/c1-11(2)12(15)20-10-6-5-8-14(22(4,18)19)9-7-13-21(3,16)17/h13H,1,5-10H2,2-4H3
InChIKeyUENZJOPAUGBORL-UHFFFAOYSA-N
XLogP-0.30
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 4-[2-(methanesulfonamido)ethyl-methylsulfonylamino]butyl 2-methylprop-2-enoate?
The IUPAC name of 4-[2-(methanesulfonamido)ethyl-methylsulfonylamino]butyl 2-methylprop-2-enoate (CID 139970875) is 4-[2-(methanesulfonamido)ethyl-methylsulfonylamino]butyl 2-methylprop-2-enoate.
What is the SMILES notation for 4-[2-(methanesulfonamido)ethyl-methylsulfonylamino]butyl 2-methylprop-2-enoate?
The canonical SMILES for 4-[2-(methanesulfonamido)ethyl-methylsulfonylamino]butyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCN(CCNS(C)(=O)=O)S(C)(=O)=O.
What is the InChIKey of 4-[2-(methanesulfonamido)ethyl-methylsulfonylamino]butyl 2-methylprop-2-enoate?
The InChIKey is UENZJOPAUGBORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O6S2/c1-11(2)12(15)20-10-6-5-8-14(22(4,18)19)9-7-13-21(3,16)17/h13H,1,5-10H2,2-4H3.
What are the key properties of 4-[2-(methanesulfonamido)ethyl-methylsulfonylamino]butyl 2-methylprop-2-enoate?
4-[2-(methanesulfonamido)ethyl-methylsulfonylamino]butyl 2-methylprop-2-enoate has a molecular weight of 356.47 g/mol, XLogP of -0.30, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methanesulfonamido)ethyl-methylsulfonylamino]butyl 2-methylprop-2-enoate is sourced from PubChem (CID 139970875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).