2-[amino-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl]amino]ethyl 2-methylprop-2-enoate

C12H26N4O6S2 — CID 139970879

IUPAC2-[amino-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl]amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(N)CCN(CCNS(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C12H26N4O6S2/c1-11(2)12(17)22-10-9-15(13)7-8-16(24(4,20)21)6-5-14-23(3,18)19/h14H,1,5-10,13H2,2-4H3
InChIKeyGDXJRUSTHGVJPO-UHFFFAOYSA-N
MW386.50 g/mol
LogP-1.91
Rot. Bonds12

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

2-[amino-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl]amino]ethyl 2-methylprop-2-enoate (PubChem CID 139970879) has the molecular formula C12H26N4O6S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[amino-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl]amino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[amino-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl]amino]ethyl 2-methylprop-2-enoate
PubChem CID139970879
Molecular FormulaC12H26N4O6S2
Molecular Weight386.50 g/mol
Exact Mass386.13
IUPAC Name2-[amino-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl]amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(N)CCN(CCNS(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C12H26N4O6S2/c1-11(2)12(17)22-10-9-15(13)7-8-16(24(4,20)21)6-5-14-23(3,18)19/h14H,1,5-10,13H2,2-4H3
InChIKeyGDXJRUSTHGVJPO-UHFFFAOYSA-N
XLogP-1.91
TPSA139.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 5-1.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[amino-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl]amino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[amino-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl]amino]ethyl 2-methylprop-2-enoate (CID 139970879) is 2-[amino-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl]amino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[amino-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl]amino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[amino-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl]amino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCN(N)CCN(CCNS(C)(=O)=O)S(C)(=O)=O.
What is the InChIKey of 2-[amino-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl]amino]ethyl 2-methylprop-2-enoate?
The InChIKey is GDXJRUSTHGVJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O6S2/c1-11(2)12(17)22-10-9-15(13)7-8-16(24(4,20)21)6-5-14-23(3,18)19/h14H,1,5-10,13H2,2-4H3.
What are the key properties of 2-[amino-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl]amino]ethyl 2-methylprop-2-enoate?
2-[amino-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl]amino]ethyl 2-methylprop-2-enoate has a molecular weight of 386.50 g/mol, XLogP of -1.91, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl]amino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 139970879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).