4-(4-methylpentan-2-yloxy)butanethioamide

C10H21NOS — CID 24698128

IUPAC4-(4-methylpentan-2-yloxy)butanethioamide
SMILESCC(C)CC(C)OCCCC(N)=S
InChIInChI=1S/C10H21NOS/c1-8(2)7-9(3)12-6-4-5-10(11)13/h8-9H,4-7H2,1-3H3,(H2,11,13)
InChIKeyMIFTYXRIVJHSKT-UHFFFAOYSA-N
MW203.35 g/mol
LogP2.50
Rot. Bonds7

About 4-(4-methylpentan-2-yloxy)butanethioamide

4-(4-methylpentan-2-yloxy)butanethioamide (PubChem CID 24698128) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 4-(4-methylpentan-2-yloxy)butanethioamide.

Molecular Properties

Compound Name4-(4-methylpentan-2-yloxy)butanethioamide
PubChem CID24698128
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name4-(4-methylpentan-2-yloxy)butanethioamide
SMILESCC(C)CC(C)OCCCC(N)=S
InChIInChI=1S/C10H21NOS/c1-8(2)7-9(3)12-6-4-5-10(11)13/h8-9H,4-7H2,1-3H3,(H2,11,13)
InChIKeyMIFTYXRIVJHSKT-UHFFFAOYSA-N
XLogP2.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-methylpentan-2-yloxy)butanethioamide 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

4-(3-Methylbutoxy)butanethioamide
CID 24691929
4-(2-Methylpropoxy)butanethioamide
CID 24705305
3-(4-Methylpentan-2-yloxy)propanethioamide
CID 24706134
2-(4-Methylpentan-2-yloxy)ethanethioamide
CID 24706890
4-[(2-Methylpropan-2-yl)oxy]butanethioamide
CID 29002287
3-(4-Methylpentoxy)propanethioamide
CID 29002363
4-(4-Methylpentoxy)butanethioamide
CID 29002366
4-(2-Methylbutan-2-yloxy)butanethioamide
CID 29002407
3-(2-Methylpropoxy)pentanethioamide
CID 43175228
2-Methyl-3-(4-methylpentan-2-yloxy)propanethioamide
CID 43175252
3-(3-Methylbutoxy)pentanethioamide
CID 43368520
3-(4-Methylpentoxy)pentanethioamide
CID 43368873

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpentan-2-yloxy)butanethioamide?
The IUPAC name of 4-(4-methylpentan-2-yloxy)butanethioamide (CID 24698128) is 4-(4-methylpentan-2-yloxy)butanethioamide.
What is the SMILES notation for 4-(4-methylpentan-2-yloxy)butanethioamide?
The canonical SMILES for 4-(4-methylpentan-2-yloxy)butanethioamide is CC(C)CC(C)OCCCC(N)=S.
What is the InChIKey of 4-(4-methylpentan-2-yloxy)butanethioamide?
The InChIKey is MIFTYXRIVJHSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-8(2)7-9(3)12-6-4-5-10(11)13/h8-9H,4-7H2,1-3H3,(H2,11,13).
What are the key properties of 4-(4-methylpentan-2-yloxy)butanethioamide?
4-(4-methylpentan-2-yloxy)butanethioamide has a molecular weight of 203.35 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpentan-2-yloxy)butanethioamide is sourced from PubChem (CID 24698128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).