2-acetamido-3-sulfanyl-N-(2,2,3-trimethylbutyl)propanamide

C12H24N2O2S — CID 114102273

IUPAC2-acetamido-3-sulfanyl-N-(2,2,3-trimethylbutyl)propanamide
SMILESCC(=O)NC(CS)C(=O)NCC(C)(C)C(C)C
InChIInChI=1S/C12H24N2O2S/c1-8(2)12(4,5)7-13-11(16)10(6-17)14-9(3)15/h8,10,17H,6-7H2,1-5H3,(H,13,16)(H,14,15)
InChIKeyABBHYOPCXSXIHQ-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.22
Rot. Bonds6

About 2-acetamido-3-sulfanyl-N-(2,2,3-trimethylbutyl)propanamide

2-acetamido-3-sulfanyl-N-(2,2,3-trimethylbutyl)propanamide (PubChem CID 114102273) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 2-acetamido-3-sulfanyl-N-(2,2,3-trimethylbutyl)propanamide.

Molecular Properties

Compound Name2-acetamido-3-sulfanyl-N-(2,2,3-trimethylbutyl)propanamide
PubChem CID114102273
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name2-acetamido-3-sulfanyl-N-(2,2,3-trimethylbutyl)propanamide
SMILESCC(=O)NC(CS)C(=O)NCC(C)(C)C(C)C
InChIInChI=1S/C12H24N2O2S/c1-8(2)12(4,5)7-13-11(16)10(6-17)14-9(3)15/h8,10,17H,6-7H2,1-5H3,(H,13,16)(H,14,15)
InChIKeyABBHYOPCXSXIHQ-UHFFFAOYSA-N
XLogP1.22
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-acetamido-3-sulfanyl-N-(2,2,3-trimethylbutyl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-acetamido-N-propan-2-yl-3-sulfanylpropanamide
CID 88909683
2-acetamido-N-[3-(methylamino)-3-oxopropyl]-3-sulfanylpropanamide
CID 107769385
2-acetamido-N-[2-(carbamoylamino)ethyl]-3-sulfanylpropanamide
CID 107769803
(2S)-2-acetamido-3-sulfanylpropanoic acid;bis((2R)-2-acetamido-3-sulfanylpropanoic acid)
CID 87596071
2-acetamido-N-butan-2-yl-3-sulfanylpropanamide
CID 88881098
2-acetamido-3-sulfanylpropanoic acid;azane
CID 14369897
4-[(2-acetamido-3-sulfanylpropanoyl)amino]butanamide
CID 107769156
S-[2-[(2-acetamido-3-sulfanylpropanoyl)amino]ethyl] ethanethioate
CID 22253947
2-acetamido-N-cycloheptyl-3-sulfanylpropanamide
CID 107769078
lithium;(2R)-2-acetamido-3-sulfanylpropanoic acid;hydride
CID 175290404
2-acetamido-N-[4-[methyl(propan-2-yl)amino]butyl]-3-sulfanylpropanamide
CID 107769401
2-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)-3-sulfanylpropanamide
CID 107769892

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-sulfanyl-N-(2,2,3-trimethylbutyl)propanamide?
The IUPAC name of 2-acetamido-3-sulfanyl-N-(2,2,3-trimethylbutyl)propanamide (CID 114102273) is 2-acetamido-3-sulfanyl-N-(2,2,3-trimethylbutyl)propanamide.
What is the SMILES notation for 2-acetamido-3-sulfanyl-N-(2,2,3-trimethylbutyl)propanamide?
The canonical SMILES for 2-acetamido-3-sulfanyl-N-(2,2,3-trimethylbutyl)propanamide is CC(=O)NC(CS)C(=O)NCC(C)(C)C(C)C.
What is the InChIKey of 2-acetamido-3-sulfanyl-N-(2,2,3-trimethylbutyl)propanamide?
The InChIKey is ABBHYOPCXSXIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-8(2)12(4,5)7-13-11(16)10(6-17)14-9(3)15/h8,10,17H,6-7H2,1-5H3,(H,13,16)(H,14,15).
What are the key properties of 2-acetamido-3-sulfanyl-N-(2,2,3-trimethylbutyl)propanamide?
2-acetamido-3-sulfanyl-N-(2,2,3-trimethylbutyl)propanamide has a molecular weight of 260.40 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-sulfanyl-N-(2,2,3-trimethylbutyl)propanamide is sourced from PubChem (CID 114102273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).