2-amino-2-methyl-4-(oxolan-2-ylmethylsulfanyl)butanamide

C10H20N2O2S — CID 106495546

IUPAC2-amino-2-methyl-4-(oxolan-2-ylmethylsulfanyl)butanamide
SMILESCC(N)(CCSCC1CCCO1)C(N)=O
InChIInChI=1S/C10H20N2O2S/c1-10(12,9(11)13)4-6-15-7-8-3-2-5-14-8/h8H,2-7,12H2,1H3,(H2,11,13)
InChIKeyIMSAIEJRZYWNCU-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.49
Rot. Bonds6

About 2-amino-2-methyl-4-(oxolan-2-ylmethylsulfanyl)butanamide

2-amino-2-methyl-4-(oxolan-2-ylmethylsulfanyl)butanamide (PubChem CID 106495546) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-amino-2-methyl-4-(oxolan-2-ylmethylsulfanyl)butanamide.

Molecular Properties

Compound Name2-amino-2-methyl-4-(oxolan-2-ylmethylsulfanyl)butanamide
PubChem CID106495546
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name2-amino-2-methyl-4-(oxolan-2-ylmethylsulfanyl)butanamide
SMILESCC(N)(CCSCC1CCCO1)C(N)=O
InChIInChI=1S/C10H20N2O2S/c1-10(12,9(11)13)4-6-15-7-8-3-2-5-14-8/h8H,2-7,12H2,1H3,(H2,11,13)
InChIKeyIMSAIEJRZYWNCU-UHFFFAOYSA-N
XLogP0.49
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.49
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-4-(oxolan-2-ylmethylsulfanyl)butanamide?
The IUPAC name of 2-amino-2-methyl-4-(oxolan-2-ylmethylsulfanyl)butanamide (CID 106495546) is 2-amino-2-methyl-4-(oxolan-2-ylmethylsulfanyl)butanamide.
What is the SMILES notation for 2-amino-2-methyl-4-(oxolan-2-ylmethylsulfanyl)butanamide?
The canonical SMILES for 2-amino-2-methyl-4-(oxolan-2-ylmethylsulfanyl)butanamide is CC(N)(CCSCC1CCCO1)C(N)=O.
What is the InChIKey of 2-amino-2-methyl-4-(oxolan-2-ylmethylsulfanyl)butanamide?
The InChIKey is IMSAIEJRZYWNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-10(12,9(11)13)4-6-15-7-8-3-2-5-14-8/h8H,2-7,12H2,1H3,(H2,11,13).
What are the key properties of 2-amino-2-methyl-4-(oxolan-2-ylmethylsulfanyl)butanamide?
2-amino-2-methyl-4-(oxolan-2-ylmethylsulfanyl)butanamide has a molecular weight of 232.35 g/mol, XLogP of 0.49, 6 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-(oxolan-2-ylmethylsulfanyl)butanamide is sourced from PubChem (CID 106495546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).