2-amino-4-(3,3-dimethylbutylsulfanyl)butanamide

C10H22N2OS — CID 170770650

IUPAC2-amino-4-(3,3-dimethylbutylsulfanyl)butanamide
SMILESCC(C)(C)CCSCCC(N)C(N)=O
InChIInChI=1S/C10H22N2OS/c1-10(2,3)5-7-14-6-4-8(11)9(12)13/h8H,4-7,11H2,1-3H3,(H2,12,13)
InChIKeyQUWHXMDDCMDKAI-UHFFFAOYSA-N
MW218.37 g/mol
LogP1.36
Rot. Bonds6

About 2-amino-4-(3,3-dimethylbutylsulfanyl)butanamide

2-amino-4-(3,3-dimethylbutylsulfanyl)butanamide (PubChem CID 170770650) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 2-amino-4-(3,3-dimethylbutylsulfanyl)butanamide.

Molecular Properties

Compound Name2-amino-4-(3,3-dimethylbutylsulfanyl)butanamide
PubChem CID170770650
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name2-amino-4-(3,3-dimethylbutylsulfanyl)butanamide
SMILESCC(C)(C)CCSCCC(N)C(N)=O
InChIInChI=1S/C10H22N2OS/c1-10(2,3)5-7-14-6-4-8(11)9(12)13/h8H,4-7,11H2,1-3H3,(H2,12,13)
InChIKeyQUWHXMDDCMDKAI-UHFFFAOYSA-N
XLogP1.36
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-4-(3,3-dimethylbutylsulfanyl)butanamide?
The IUPAC name of 2-amino-4-(3,3-dimethylbutylsulfanyl)butanamide (CID 170770650) is 2-amino-4-(3,3-dimethylbutylsulfanyl)butanamide.
What is the SMILES notation for 2-amino-4-(3,3-dimethylbutylsulfanyl)butanamide?
The canonical SMILES for 2-amino-4-(3,3-dimethylbutylsulfanyl)butanamide is CC(C)(C)CCSCCC(N)C(N)=O.
What is the InChIKey of 2-amino-4-(3,3-dimethylbutylsulfanyl)butanamide?
The InChIKey is QUWHXMDDCMDKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-10(2,3)5-7-14-6-4-8(11)9(12)13/h8H,4-7,11H2,1-3H3,(H2,12,13).
What are the key properties of 2-amino-4-(3,3-dimethylbutylsulfanyl)butanamide?
2-amino-4-(3,3-dimethylbutylsulfanyl)butanamide has a molecular weight of 218.37 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,3-dimethylbutylsulfanyl)butanamide is sourced from PubChem (CID 170770650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).