N-[2-[2-(methanesulfonamido)ethylamino]ethyl]-2-methylprop-2-enamide

C9H19N3O3S — CID 139973179

IUPACN-[2-[2-(methanesulfonamido)ethylamino]ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCNCCNS(C)(=O)=O
InChIInChI=1S/C9H19N3O3S/c1-8(2)9(13)11-6-4-10-5-7-12-16(3,14)15/h10,12H,1,4-7H2,2-3H3,(H,11,13)
InChIKeyWYCVWXDRHYESFP-UHFFFAOYSA-N
MW249.34 g/mol
LogP-1.18
Rot. Bonds8

About N-[2-[2-(methanesulfonamido)ethylamino]ethyl]-2-methylprop-2-enamide

N-[2-[2-(methanesulfonamido)ethylamino]ethyl]-2-methylprop-2-enamide (PubChem CID 139973179) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is N-[2-[2-(methanesulfonamido)ethylamino]ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-(methanesulfonamido)ethylamino]ethyl]-2-methylprop-2-enamide
PubChem CID139973179
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC NameN-[2-[2-(methanesulfonamido)ethylamino]ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCNCCNS(C)(=O)=O
InChIInChI=1S/C9H19N3O3S/c1-8(2)9(13)11-6-4-10-5-7-12-16(3,14)15/h10,12H,1,4-7H2,2-3H3,(H,11,13)
InChIKeyWYCVWXDRHYESFP-UHFFFAOYSA-N
XLogP-1.18
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 N-[2-[2-(methanesulfonamido)ethylamino]ethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[2-[2-(methanesulfonamido)ethylamino]ethyl]-2-methylprop-2-enamide (CID 139973179) is N-[2-[2-(methanesulfonamido)ethylamino]ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-[2-(methanesulfonamido)ethylamino]ethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-[2-(methanesulfonamido)ethylamino]ethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCNCCNS(C)(=O)=O.
What is the InChIKey of N-[2-[2-(methanesulfonamido)ethylamino]ethyl]-2-methylprop-2-enamide?
The InChIKey is WYCVWXDRHYESFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-8(2)9(13)11-6-4-10-5-7-12-16(3,14)15/h10,12H,1,4-7H2,2-3H3,(H,11,13).
What are the key properties of N-[2-[2-(methanesulfonamido)ethylamino]ethyl]-2-methylprop-2-enamide?
N-[2-[2-(methanesulfonamido)ethylamino]ethyl]-2-methylprop-2-enamide has a molecular weight of 249.34 g/mol, XLogP of -1.18, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(methanesulfonamido)ethylamino]ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 139973179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).