2-butylsulfanyl-2-methylpropanamide

C8H17NOS — CID 3048538

IUPAC2-butylsulfanyl-2-methylpropanamide
SMILESCCCCSC(C)(C)C(N)=O
InChIInChI=1S/C8H17NOS/c1-4-5-6-11-8(2,3)7(9)10/h4-6H2,1-3H3,(H2,9,10)
InChIKeyZWSMHUSCFABOJA-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.78
Rot. Bonds5

About 2-butylsulfanyl-2-methylpropanamide

2-butylsulfanyl-2-methylpropanamide (PubChem CID 3048538) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 2-butylsulfanyl-2-methylpropanamide.

Molecular Properties

Compound Name2-butylsulfanyl-2-methylpropanamide
PubChem CID3048538
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name2-butylsulfanyl-2-methylpropanamide
SMILESCCCCSC(C)(C)C(N)=O
InChIInChI=1S/C8H17NOS/c1-4-5-6-11-8(2,3)7(9)10/h4-6H2,1-3H3,(H2,9,10)
InChIKeyZWSMHUSCFABOJA-UHFFFAOYSA-N
XLogP1.78
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-butylsulfanyl-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-2-methylpropanamide?
The IUPAC name of 2-butylsulfanyl-2-methylpropanamide (CID 3048538) is 2-butylsulfanyl-2-methylpropanamide.
What is the SMILES notation for 2-butylsulfanyl-2-methylpropanamide?
The canonical SMILES for 2-butylsulfanyl-2-methylpropanamide is CCCCSC(C)(C)C(N)=O.
What is the InChIKey of 2-butylsulfanyl-2-methylpropanamide?
The InChIKey is ZWSMHUSCFABOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-4-5-6-11-8(2,3)7(9)10/h4-6H2,1-3H3,(H2,9,10).
What are the key properties of 2-butylsulfanyl-2-methylpropanamide?
2-butylsulfanyl-2-methylpropanamide has a molecular weight of 175.30 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-2-methylpropanamide is sourced from PubChem (CID 3048538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).