2-(4-aminobutan-2-ylsulfanyl)-N-(2-methylpropyl)propanamide

C11H24N2OS — CID 66230922

IUPAC2-(4-aminobutan-2-ylsulfanyl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)SC(C)CCN
InChIInChI=1S/C11H24N2OS/c1-8(2)7-13-11(14)10(4)15-9(3)5-6-12/h8-10H,5-7,12H2,1-4H3,(H,13,14)
InChIKeyHJZIJKXTCAJKIS-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.62
Rot. Bonds7

About 2-(4-aminobutan-2-ylsulfanyl)-N-(2-methylpropyl)propanamide

2-(4-aminobutan-2-ylsulfanyl)-N-(2-methylpropyl)propanamide (PubChem CID 66230922) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 2-(4-aminobutan-2-ylsulfanyl)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(4-aminobutan-2-ylsulfanyl)-N-(2-methylpropyl)propanamide
PubChem CID66230922
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name2-(4-aminobutan-2-ylsulfanyl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)SC(C)CCN
InChIInChI=1S/C11H24N2OS/c1-8(2)7-13-11(14)10(4)15-9(3)5-6-12/h8-10H,5-7,12H2,1-4H3,(H,13,14)
InChIKeyHJZIJKXTCAJKIS-UHFFFAOYSA-N
XLogP1.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutan-2-ylsulfanyl)-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(4-aminobutan-2-ylsulfanyl)-N-(2-methylpropyl)propanamide (CID 66230922) is 2-(4-aminobutan-2-ylsulfanyl)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(4-aminobutan-2-ylsulfanyl)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(4-aminobutan-2-ylsulfanyl)-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)SC(C)CCN.
What is the InChIKey of 2-(4-aminobutan-2-ylsulfanyl)-N-(2-methylpropyl)propanamide?
The InChIKey is HJZIJKXTCAJKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-8(2)7-13-11(14)10(4)15-9(3)5-6-12/h8-10H,5-7,12H2,1-4H3,(H,13,14).
What are the key properties of 2-(4-aminobutan-2-ylsulfanyl)-N-(2-methylpropyl)propanamide?
2-(4-aminobutan-2-ylsulfanyl)-N-(2-methylpropyl)propanamide has a molecular weight of 232.39 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutan-2-ylsulfanyl)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 66230922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).