2-amino-2-methyl-4-(oxan-4-ylsulfanyl)pentanamide

C11H22N2O2S — CID 64705337

IUPAC2-amino-2-methyl-4-(oxan-4-ylsulfanyl)pentanamide
SMILESCC(CC(C)(N)C(N)=O)SC1CCOCC1
InChIInChI=1S/C11H22N2O2S/c1-8(7-11(2,13)10(12)14)16-9-3-5-15-6-4-9/h8-9H,3-7,13H2,1-2H3,(H2,12,14)
InChIKeyAPPJXFMLSAKGDE-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.88
Rot. Bonds5

About 2-amino-2-methyl-4-(oxan-4-ylsulfanyl)pentanamide

2-amino-2-methyl-4-(oxan-4-ylsulfanyl)pentanamide (PubChem CID 64705337) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-amino-2-methyl-4-(oxan-4-ylsulfanyl)pentanamide.

Molecular Properties

Compound Name2-amino-2-methyl-4-(oxan-4-ylsulfanyl)pentanamide
PubChem CID64705337
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name2-amino-2-methyl-4-(oxan-4-ylsulfanyl)pentanamide
SMILESCC(CC(C)(N)C(N)=O)SC1CCOCC1
InChIInChI=1S/C11H22N2O2S/c1-8(7-11(2,13)10(12)14)16-9-3-5-15-6-4-9/h8-9H,3-7,13H2,1-2H3,(H2,12,14)
InChIKeyAPPJXFMLSAKGDE-UHFFFAOYSA-N
XLogP0.88
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-(oxan-4-ylsulfanyl)pentanamide?
The IUPAC name of 2-amino-2-methyl-4-(oxan-4-ylsulfanyl)pentanamide (CID 64705337) is 2-amino-2-methyl-4-(oxan-4-ylsulfanyl)pentanamide.
What is the SMILES notation for 2-amino-2-methyl-4-(oxan-4-ylsulfanyl)pentanamide?
The canonical SMILES for 2-amino-2-methyl-4-(oxan-4-ylsulfanyl)pentanamide is CC(CC(C)(N)C(N)=O)SC1CCOCC1.
What is the InChIKey of 2-amino-2-methyl-4-(oxan-4-ylsulfanyl)pentanamide?
The InChIKey is APPJXFMLSAKGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-8(7-11(2,13)10(12)14)16-9-3-5-15-6-4-9/h8-9H,3-7,13H2,1-2H3,(H2,12,14).
What are the key properties of 2-amino-2-methyl-4-(oxan-4-ylsulfanyl)pentanamide?
2-amino-2-methyl-4-(oxan-4-ylsulfanyl)pentanamide has a molecular weight of 246.38 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-(oxan-4-ylsulfanyl)pentanamide is sourced from PubChem (CID 64705337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).