4-amino-N-(1-benzylcyclopropyl)sulfonylbutanamide

C14H20N2O3S — CID 67560982

IUPAC4-amino-N-(1-benzylcyclopropyl)sulfonylbutanamide
SMILESNCCCC(=O)NS(=O)(=O)C1(Cc2ccccc2)CC1
InChIInChI=1S/C14H20N2O3S/c15-10-4-7-13(17)16-20(18,19)14(8-9-14)11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11,15H2,(H,16,17)
InChIKeyVVPIKKSGLUCSCA-UHFFFAOYSA-N
MW296.39 g/mol
LogP0.95
Rot. Bonds7

About 4-amino-N-(1-benzylcyclopropyl)sulfonylbutanamide

4-amino-N-(1-benzylcyclopropyl)sulfonylbutanamide (PubChem CID 67560982) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-amino-N-(1-benzylcyclopropyl)sulfonylbutanamide.

Molecular Properties

Compound Name4-amino-N-(1-benzylcyclopropyl)sulfonylbutanamide
PubChem CID67560982
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name4-amino-N-(1-benzylcyclopropyl)sulfonylbutanamide
SMILESNCCCC(=O)NS(=O)(=O)C1(Cc2ccccc2)CC1
InChIInChI=1S/C14H20N2O3S/c15-10-4-7-13(17)16-20(18,19)14(8-9-14)11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11,15H2,(H,16,17)
InChIKeyVVPIKKSGLUCSCA-UHFFFAOYSA-N
XLogP0.95
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-(1-benzylcyclopropyl)sulfonylbutanamide 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 4-amino-N-(1-benzylcyclopropyl)sulfonylbutanamide?
The IUPAC name of 4-amino-N-(1-benzylcyclopropyl)sulfonylbutanamide (CID 67560982) is 4-amino-N-(1-benzylcyclopropyl)sulfonylbutanamide.
What is the SMILES notation for 4-amino-N-(1-benzylcyclopropyl)sulfonylbutanamide?
The canonical SMILES for 4-amino-N-(1-benzylcyclopropyl)sulfonylbutanamide is NCCCC(=O)NS(=O)(=O)C1(Cc2ccccc2)CC1.
What is the InChIKey of 4-amino-N-(1-benzylcyclopropyl)sulfonylbutanamide?
The InChIKey is VVPIKKSGLUCSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c15-10-4-7-13(17)16-20(18,19)14(8-9-14)11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11,15H2,(H,16,17).
What are the key properties of 4-amino-N-(1-benzylcyclopropyl)sulfonylbutanamide?
4-amino-N-(1-benzylcyclopropyl)sulfonylbutanamide has a molecular weight of 296.39 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-benzylcyclopropyl)sulfonylbutanamide is sourced from PubChem (CID 67560982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).