2-(4-aminobutan-2-ylsulfanyl)-N-(oxan-4-yl)acetamide

C11H22N2O2S — CID 66228118

IUPAC2-(4-aminobutan-2-ylsulfanyl)-N-(oxan-4-yl)acetamide
SMILESCC(CCN)SCC(=O)NC1CCOCC1
InChIInChI=1S/C11H22N2O2S/c1-9(2-5-12)16-8-11(14)13-10-3-6-15-7-4-10/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeyRQCDRNSWWKZSEF-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.75
Rot. Bonds6

About 2-(4-aminobutan-2-ylsulfanyl)-N-(oxan-4-yl)acetamide

2-(4-aminobutan-2-ylsulfanyl)-N-(oxan-4-yl)acetamide (PubChem CID 66228118) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-(4-aminobutan-2-ylsulfanyl)-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-aminobutan-2-ylsulfanyl)-N-(oxan-4-yl)acetamide
PubChem CID66228118
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name2-(4-aminobutan-2-ylsulfanyl)-N-(oxan-4-yl)acetamide
SMILESCC(CCN)SCC(=O)NC1CCOCC1
InChIInChI=1S/C11H22N2O2S/c1-9(2-5-12)16-8-11(14)13-10-3-6-15-7-4-10/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeyRQCDRNSWWKZSEF-UHFFFAOYSA-N
XLogP0.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-aminobutan-2-ylsulfanyl)-N-(oxan-4-yl)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 2-(4-aminobutan-2-ylsulfanyl)-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(4-aminobutan-2-ylsulfanyl)-N-(oxan-4-yl)acetamide (CID 66228118) is 2-(4-aminobutan-2-ylsulfanyl)-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(4-aminobutan-2-ylsulfanyl)-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(4-aminobutan-2-ylsulfanyl)-N-(oxan-4-yl)acetamide is CC(CCN)SCC(=O)NC1CCOCC1.
What is the InChIKey of 2-(4-aminobutan-2-ylsulfanyl)-N-(oxan-4-yl)acetamide?
The InChIKey is RQCDRNSWWKZSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-9(2-5-12)16-8-11(14)13-10-3-6-15-7-4-10/h9-10H,2-8,12H2,1H3,(H,13,14).
What are the key properties of 2-(4-aminobutan-2-ylsulfanyl)-N-(oxan-4-yl)acetamide?
2-(4-aminobutan-2-ylsulfanyl)-N-(oxan-4-yl)acetamide has a molecular weight of 246.38 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutan-2-ylsulfanyl)-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 66228118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).