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

C14H30N4O6S2 — CID 139970895

IUPAC2-[2-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethylamino]ethylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNCCNCCN(CCNS(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C14H30N4O6S2/c1-13(2)14(19)24-12-9-16-6-5-15-7-10-18(26(4,22)23)11-8-17-25(3,20)21/h15-17H,1,5-12H2,2-4H3
InChIKeyQKXRWVUSTNMOMU-UHFFFAOYSA-N
MW414.55 g/mol
LogP-1.90
Rot. Bonds15

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

2-[2-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethylamino]ethylamino]ethyl 2-methylprop-2-enoate (PubChem CID 139970895) has the molecular formula C14H30N4O6S2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 2-[2-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethylamino]ethylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethylamino]ethylamino]ethyl 2-methylprop-2-enoate
PubChem CID139970895
Molecular FormulaC14H30N4O6S2
Molecular Weight414.55 g/mol
Exact Mass414.16
IUPAC Name2-[2-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethylamino]ethylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNCCNCCN(CCNS(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C14H30N4O6S2/c1-13(2)14(19)24-12-9-16-6-5-15-7-10-18(26(4,22)23)11-8-17-25(3,20)21/h15-17H,1,5-12H2,2-4H3
InChIKeyQKXRWVUSTNMOMU-UHFFFAOYSA-N
XLogP-1.90
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 5-1.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethylamino]ethylamino]ethyl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 132084579
CID 132084579
CID 139843145
CID 139843145
CID 139970862
CID 139970862
CID 139970871
CID 139970871
CID 139970874
CID 139970874
CID 139970875
CID 139970875
CID 139970876
CID 139970876
CID 139970877
CID 139970877
CID 139970878
CID 139970878
CID 139970879
CID 139970879
CID 139970880
CID 139970880
CID 139970883
CID 139970883

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethylamino]ethylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethylamino]ethylamino]ethyl 2-methylprop-2-enoate (CID 139970895) is 2-[2-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethylamino]ethylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethylamino]ethylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethylamino]ethylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNCCNCCN(CCNS(C)(=O)=O)S(C)(=O)=O.
What is the InChIKey of 2-[2-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethylamino]ethylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is QKXRWVUSTNMOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O6S2/c1-13(2)14(19)24-12-9-16-6-5-15-7-10-18(26(4,22)23)11-8-17-25(3,20)21/h15-17H,1,5-12H2,2-4H3.
What are the key properties of 2-[2-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethylamino]ethylamino]ethyl 2-methylprop-2-enoate?
2-[2-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethylamino]ethylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 414.55 g/mol, XLogP of -1.90, 15 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethylamino]ethylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 139970895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).