2-amino-N-ethylsulfonyl-5-methoxypentanamide

C8H18N2O4S — CID 103307121

IUPAC2-amino-N-ethylsulfonyl-5-methoxypentanamide
SMILESCCS(=O)(=O)NC(=O)C(N)CCCOC
InChIInChI=1S/C8H18N2O4S/c1-3-15(12,13)10-8(11)7(9)5-4-6-14-2/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyIPEVIPXWYFQFAP-UHFFFAOYSA-N
MW238.31 g/mol
LogP-0.79
Rot. Bonds7

About 2-amino-N-ethylsulfonyl-5-methoxypentanamide

2-amino-N-ethylsulfonyl-5-methoxypentanamide (PubChem CID 103307121) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-amino-N-ethylsulfonyl-5-methoxypentanamide.

Molecular Properties

Compound Name2-amino-N-ethylsulfonyl-5-methoxypentanamide
PubChem CID103307121
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Name2-amino-N-ethylsulfonyl-5-methoxypentanamide
SMILESCCS(=O)(=O)NC(=O)C(N)CCCOC
InChIInChI=1S/C8H18N2O4S/c1-3-15(12,13)10-8(11)7(9)5-4-6-14-2/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyIPEVIPXWYFQFAP-UHFFFAOYSA-N
XLogP-0.79
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-N-ethylsulfonyl-5-methoxypentanamide 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 2-amino-N-ethylsulfonyl-5-methoxypentanamide?
The IUPAC name of 2-amino-N-ethylsulfonyl-5-methoxypentanamide (CID 103307121) is 2-amino-N-ethylsulfonyl-5-methoxypentanamide.
What is the SMILES notation for 2-amino-N-ethylsulfonyl-5-methoxypentanamide?
The canonical SMILES for 2-amino-N-ethylsulfonyl-5-methoxypentanamide is CCS(=O)(=O)NC(=O)C(N)CCCOC.
What is the InChIKey of 2-amino-N-ethylsulfonyl-5-methoxypentanamide?
The InChIKey is IPEVIPXWYFQFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-3-15(12,13)10-8(11)7(9)5-4-6-14-2/h7H,3-6,9H2,1-2H3,(H,10,11).
What are the key properties of 2-amino-N-ethylsulfonyl-5-methoxypentanamide?
2-amino-N-ethylsulfonyl-5-methoxypentanamide has a molecular weight of 238.31 g/mol, XLogP of -0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethylsulfonyl-5-methoxypentanamide is sourced from PubChem (CID 103307121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).