2-methyl-3-(4-methylpentan-2-yloxy)propanethioamide

C10H21NOS — CID 43175252

IUPAC2-methyl-3-(4-methylpentan-2-yloxy)propanethioamide
SMILESCC(C)CC(C)OCC(C)C(N)=S
InChIInChI=1S/C10H21NOS/c1-7(2)5-9(4)12-6-8(3)10(11)13/h7-9H,5-6H2,1-4H3,(H2,11,13)
InChIKeyQJNPUQGLSPKHBF-UHFFFAOYSA-N
MW203.35 g/mol
LogP2.36
Rot. Bonds6

About 2-methyl-3-(4-methylpentan-2-yloxy)propanethioamide

2-methyl-3-(4-methylpentan-2-yloxy)propanethioamide (PubChem CID 43175252) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 2-methyl-3-(4-methylpentan-2-yloxy)propanethioamide.

Molecular Properties

Compound Name2-methyl-3-(4-methylpentan-2-yloxy)propanethioamide
PubChem CID43175252
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name2-methyl-3-(4-methylpentan-2-yloxy)propanethioamide
SMILESCC(C)CC(C)OCC(C)C(N)=S
InChIInChI=1S/C10H21NOS/c1-7(2)5-9(4)12-6-8(3)10(11)13/h7-9H,5-6H2,1-4H3,(H2,11,13)
InChIKeyQJNPUQGLSPKHBF-UHFFFAOYSA-N
XLogP2.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methylpentan-2-yloxy)propanethioamide?
The IUPAC name of 2-methyl-3-(4-methylpentan-2-yloxy)propanethioamide (CID 43175252) is 2-methyl-3-(4-methylpentan-2-yloxy)propanethioamide.
What is the SMILES notation for 2-methyl-3-(4-methylpentan-2-yloxy)propanethioamide?
The canonical SMILES for 2-methyl-3-(4-methylpentan-2-yloxy)propanethioamide is CC(C)CC(C)OCC(C)C(N)=S.
What is the InChIKey of 2-methyl-3-(4-methylpentan-2-yloxy)propanethioamide?
The InChIKey is QJNPUQGLSPKHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-7(2)5-9(4)12-6-8(3)10(11)13/h7-9H,5-6H2,1-4H3,(H2,11,13).
What are the key properties of 2-methyl-3-(4-methylpentan-2-yloxy)propanethioamide?
2-methyl-3-(4-methylpentan-2-yloxy)propanethioamide has a molecular weight of 203.35 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methylpentan-2-yloxy)propanethioamide is sourced from PubChem (CID 43175252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).