N-[2-(pyrrolidin-3-ylsulfonylamino)ethyl]acetamide

C8H17N3O3S — CID 65420913

IUPACN-[2-(pyrrolidin-3-ylsulfonylamino)ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)C1CCNC1
InChIInChI=1S/C8H17N3O3S/c1-7(12)10-4-5-11-15(13,14)8-2-3-9-6-8/h8-9,11H,2-6H2,1H3,(H,10,12)
InChIKeyKSWFIFJLZHHUSK-UHFFFAOYSA-N
MW235.31 g/mol
LogP-1.60
Rot. Bonds5

About N-[2-(pyrrolidin-3-ylsulfonylamino)ethyl]acetamide

N-[2-(pyrrolidin-3-ylsulfonylamino)ethyl]acetamide (PubChem CID 65420913) has the molecular formula C8H17N3O3S and a molecular weight of 235.31 g/mol. Its IUPAC name is N-[2-(pyrrolidin-3-ylsulfonylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(pyrrolidin-3-ylsulfonylamino)ethyl]acetamide
PubChem CID65420913
Molecular FormulaC8H17N3O3S
Molecular Weight235.31 g/mol
Exact Mass235.10
IUPAC NameN-[2-(pyrrolidin-3-ylsulfonylamino)ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)C1CCNC1
InChIInChI=1S/C8H17N3O3S/c1-7(12)10-4-5-11-15(13,14)8-2-3-9-6-8/h8-9,11H,2-6H2,1H3,(H,10,12)
InChIKeyKSWFIFJLZHHUSK-UHFFFAOYSA-N
XLogP-1.60
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(pyrrolidin-3-ylsulfonylamino)ethyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(pyrrolidin-3-ylsulfonylamino)ethyl]acetamide?
The IUPAC name of N-[2-(pyrrolidin-3-ylsulfonylamino)ethyl]acetamide (CID 65420913) is N-[2-(pyrrolidin-3-ylsulfonylamino)ethyl]acetamide.
What is the SMILES notation for N-[2-(pyrrolidin-3-ylsulfonylamino)ethyl]acetamide?
The canonical SMILES for N-[2-(pyrrolidin-3-ylsulfonylamino)ethyl]acetamide is CC(=O)NCCNS(=O)(=O)C1CCNC1.
What is the InChIKey of N-[2-(pyrrolidin-3-ylsulfonylamino)ethyl]acetamide?
The InChIKey is KSWFIFJLZHHUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3S/c1-7(12)10-4-5-11-15(13,14)8-2-3-9-6-8/h8-9,11H,2-6H2,1H3,(H,10,12).
What are the key properties of N-[2-(pyrrolidin-3-ylsulfonylamino)ethyl]acetamide?
N-[2-(pyrrolidin-3-ylsulfonylamino)ethyl]acetamide has a molecular weight of 235.31 g/mol, XLogP of -1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(pyrrolidin-3-ylsulfonylamino)ethyl]acetamide is sourced from PubChem (CID 65420913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).