2-[6-(methanesulfonamido)hexyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate

C14H28N2O6S2 — CID 139970874

IUPAC2-[6-(methanesulfonamido)hexyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(CCCCCCNS(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C14H28N2O6S2/c1-13(2)14(17)22-12-11-16(24(4,20)21)10-8-6-5-7-9-15-23(3,18)19/h15H,1,5-12H2,2-4H3
InChIKeyGLZXKBNDZYMFMC-UHFFFAOYSA-N
MW384.52 g/mol
LogP0.48
Rot. Bonds13

About 2-[6-(methanesulfonamido)hexyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate

2-[6-(methanesulfonamido)hexyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate (PubChem CID 139970874) has the molecular formula C14H28N2O6S2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-[6-(methanesulfonamido)hexyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[6-(methanesulfonamido)hexyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate
PubChem CID139970874
Molecular FormulaC14H28N2O6S2
Molecular Weight384.52 g/mol
Exact Mass384.14
IUPAC Name2-[6-(methanesulfonamido)hexyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(CCCCCCNS(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C14H28N2O6S2/c1-13(2)14(17)22-12-11-16(24(4,20)21)10-8-6-5-7-9-15-23(3,18)19/h15H,1,5-12H2,2-4H3
InChIKeyGLZXKBNDZYMFMC-UHFFFAOYSA-N
XLogP0.48
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 50.48
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 2-[6-(methanesulfonamido)hexyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[6-(methanesulfonamido)hexyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate (CID 139970874) is 2-[6-(methanesulfonamido)hexyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[6-(methanesulfonamido)hexyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[6-(methanesulfonamido)hexyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCN(CCCCCCNS(C)(=O)=O)S(C)(=O)=O.
What is the InChIKey of 2-[6-(methanesulfonamido)hexyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is GLZXKBNDZYMFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O6S2/c1-13(2)14(17)22-12-11-16(24(4,20)21)10-8-6-5-7-9-15-23(3,18)19/h15H,1,5-12H2,2-4H3.
What are the key properties of 2-[6-(methanesulfonamido)hexyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate?
2-[6-(methanesulfonamido)hexyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 384.52 g/mol, XLogP of 0.48, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(methanesulfonamido)hexyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 139970874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).