N-ethyl-N-[3-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]methanesulfonamide

C12H23N3O4S — CID 61015280

IUPACN-ethyl-N-[3-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]methanesulfonamide
SMILESCCN1C(=O)CC(NCCCN(CC)S(C)(=O)=O)C1=O
InChIInChI=1S/C12H23N3O4S/c1-4-14(20(3,18)19)8-6-7-13-10-9-11(16)15(5-2)12(10)17/h10,13H,4-9H2,1-3H3
InChIKeyFIKBXQPWZXIMJK-UHFFFAOYSA-N
MW305.40 g/mol
LogP-0.61
Rot. Bonds8

About N-ethyl-N-[3-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]methanesulfonamide

N-ethyl-N-[3-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]methanesulfonamide (PubChem CID 61015280) has the molecular formula C12H23N3O4S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-ethyl-N-[3-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]methanesulfonamide
PubChem CID61015280
Molecular FormulaC12H23N3O4S
Molecular Weight305.40 g/mol
Exact Mass305.14
IUPAC NameN-ethyl-N-[3-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]methanesulfonamide
SMILESCCN1C(=O)CC(NCCCN(CC)S(C)(=O)=O)C1=O
InChIInChI=1S/C12H23N3O4S/c1-4-14(20(3,18)19)8-6-7-13-10-9-11(16)15(5-2)12(10)17/h10,13H,4-9H2,1-3H3
InChIKeyFIKBXQPWZXIMJK-UHFFFAOYSA-N
XLogP-0.61
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]methanesulfonamide (CID 61015280) is N-ethyl-N-[3-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]methanesulfonamide is CCN1C(=O)CC(NCCCN(CC)S(C)(=O)=O)C1=O.
What is the InChIKey of N-ethyl-N-[3-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]methanesulfonamide?
The InChIKey is FIKBXQPWZXIMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4S/c1-4-14(20(3,18)19)8-6-7-13-10-9-11(16)15(5-2)12(10)17/h10,13H,4-9H2,1-3H3.
What are the key properties of N-ethyl-N-[3-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]methanesulfonamide?
N-ethyl-N-[3-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]methanesulfonamide has a molecular weight of 305.40 g/mol, XLogP of -0.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-[(1-ethyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 61015280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).