2-(ethylsulfonylamino)-N-(2-hydroxy-2-methylpropyl)-4-methylsulfanylbutanamide

C11H24N2O4S2 — CID 65110158

IUPAC2-(ethylsulfonylamino)-N-(2-hydroxy-2-methylpropyl)-4-methylsulfanylbutanamide
SMILESCCS(=O)(=O)NC(CCSC)C(=O)NCC(C)(C)O
InChIInChI=1S/C11H24N2O4S2/c1-5-19(16,17)13-9(6-7-18-4)10(14)12-8-11(2,3)15/h9,13,15H,5-8H2,1-4H3,(H,12,14)
InChIKeyYVLJOCOPYQUABX-UHFFFAOYSA-N
MW312.46 g/mol
LogP-0.07
Rot. Bonds9

About 2-(ethylsulfonylamino)-N-(2-hydroxy-2-methylpropyl)-4-methylsulfanylbutanamide

2-(ethylsulfonylamino)-N-(2-hydroxy-2-methylpropyl)-4-methylsulfanylbutanamide (PubChem CID 65110158) has the molecular formula C11H24N2O4S2 and a molecular weight of 312.46 g/mol. Its IUPAC name is 2-(ethylsulfonylamino)-N-(2-hydroxy-2-methylpropyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-(ethylsulfonylamino)-N-(2-hydroxy-2-methylpropyl)-4-methylsulfanylbutanamide
PubChem CID65110158
Molecular FormulaC11H24N2O4S2
Molecular Weight312.46 g/mol
Exact Mass312.12
IUPAC Name2-(ethylsulfonylamino)-N-(2-hydroxy-2-methylpropyl)-4-methylsulfanylbutanamide
SMILESCCS(=O)(=O)NC(CCSC)C(=O)NCC(C)(C)O
InChIInChI=1S/C11H24N2O4S2/c1-5-19(16,17)13-9(6-7-18-4)10(14)12-8-11(2,3)15/h9,13,15H,5-8H2,1-4H3,(H,12,14)
InChIKeyYVLJOCOPYQUABX-UHFFFAOYSA-N
XLogP-0.07
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(ethylsulfonylamino)-N-(2-hydroxy-2-methylpropyl)-4-methylsulfanylbutanamide 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-(ethylsulfonylamino)-N-(2-hydroxy-2-methylpropyl)-4-methylsulfanylbutanamide?
The IUPAC name of 2-(ethylsulfonylamino)-N-(2-hydroxy-2-methylpropyl)-4-methylsulfanylbutanamide (CID 65110158) is 2-(ethylsulfonylamino)-N-(2-hydroxy-2-methylpropyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-(ethylsulfonylamino)-N-(2-hydroxy-2-methylpropyl)-4-methylsulfanylbutanamide?
The canonical SMILES for 2-(ethylsulfonylamino)-N-(2-hydroxy-2-methylpropyl)-4-methylsulfanylbutanamide is CCS(=O)(=O)NC(CCSC)C(=O)NCC(C)(C)O.
What is the InChIKey of 2-(ethylsulfonylamino)-N-(2-hydroxy-2-methylpropyl)-4-methylsulfanylbutanamide?
The InChIKey is YVLJOCOPYQUABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S2/c1-5-19(16,17)13-9(6-7-18-4)10(14)12-8-11(2,3)15/h9,13,15H,5-8H2,1-4H3,(H,12,14).
What are the key properties of 2-(ethylsulfonylamino)-N-(2-hydroxy-2-methylpropyl)-4-methylsulfanylbutanamide?
2-(ethylsulfonylamino)-N-(2-hydroxy-2-methylpropyl)-4-methylsulfanylbutanamide has a molecular weight of 312.46 g/mol, XLogP of -0.07, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylamino)-N-(2-hydroxy-2-methylpropyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 65110158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).