2-amino-2-methyl-5-(oxolan-2-ylmethylsulfanyl)pentanamide

C11H22N2O2S — CID 106495609

IUPAC2-amino-2-methyl-5-(oxolan-2-ylmethylsulfanyl)pentanamide
SMILESCC(N)(CCCSCC1CCCO1)C(N)=O
InChIInChI=1S/C11H22N2O2S/c1-11(13,10(12)14)5-3-7-16-8-9-4-2-6-15-9/h9H,2-8,13H2,1H3,(H2,12,14)
InChIKeyPGLNCVJKGLFIFT-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.88
Rot. Bonds7

About 2-amino-2-methyl-5-(oxolan-2-ylmethylsulfanyl)pentanamide

2-amino-2-methyl-5-(oxolan-2-ylmethylsulfanyl)pentanamide (PubChem CID 106495609) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-amino-2-methyl-5-(oxolan-2-ylmethylsulfanyl)pentanamide.

Molecular Properties

Compound Name2-amino-2-methyl-5-(oxolan-2-ylmethylsulfanyl)pentanamide
PubChem CID106495609
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name2-amino-2-methyl-5-(oxolan-2-ylmethylsulfanyl)pentanamide
SMILESCC(N)(CCCSCC1CCCO1)C(N)=O
InChIInChI=1S/C11H22N2O2S/c1-11(13,10(12)14)5-3-7-16-8-9-4-2-6-15-9/h9H,2-8,13H2,1H3,(H2,12,14)
InChIKeyPGLNCVJKGLFIFT-UHFFFAOYSA-N
XLogP0.88
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-5-(oxolan-2-ylmethylsulfanyl)pentanamide?
The IUPAC name of 2-amino-2-methyl-5-(oxolan-2-ylmethylsulfanyl)pentanamide (CID 106495609) is 2-amino-2-methyl-5-(oxolan-2-ylmethylsulfanyl)pentanamide.
What is the SMILES notation for 2-amino-2-methyl-5-(oxolan-2-ylmethylsulfanyl)pentanamide?
The canonical SMILES for 2-amino-2-methyl-5-(oxolan-2-ylmethylsulfanyl)pentanamide is CC(N)(CCCSCC1CCCO1)C(N)=O.
What is the InChIKey of 2-amino-2-methyl-5-(oxolan-2-ylmethylsulfanyl)pentanamide?
The InChIKey is PGLNCVJKGLFIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-11(13,10(12)14)5-3-7-16-8-9-4-2-6-15-9/h9H,2-8,13H2,1H3,(H2,12,14).
What are the key properties of 2-amino-2-methyl-5-(oxolan-2-ylmethylsulfanyl)pentanamide?
2-amino-2-methyl-5-(oxolan-2-ylmethylsulfanyl)pentanamide has a molecular weight of 246.38 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-5-(oxolan-2-ylmethylsulfanyl)pentanamide is sourced from PubChem (CID 106495609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).