3-(4-methylpentoxy)pentanethioamide

C11H23NOS — CID 43368873

IUPAC3-(4-methylpentoxy)pentanethioamide
SMILESCCC(CC(N)=S)OCCCC(C)C
InChIInChI=1S/C11H23NOS/c1-4-10(8-11(12)14)13-7-5-6-9(2)3/h9-10H,4-8H2,1-3H3,(H2,12,14)
InChIKeyFNDLQJUKLMIFNS-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.89
Rot. Bonds8

About 3-(4-methylpentoxy)pentanethioamide

3-(4-methylpentoxy)pentanethioamide (PubChem CID 43368873) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 3-(4-methylpentoxy)pentanethioamide.

Molecular Properties

Compound Name3-(4-methylpentoxy)pentanethioamide
PubChem CID43368873
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name3-(4-methylpentoxy)pentanethioamide
SMILESCCC(CC(N)=S)OCCCC(C)C
InChIInChI=1S/C11H23NOS/c1-4-10(8-11(12)14)13-7-5-6-9(2)3/h9-10H,4-8H2,1-3H3,(H2,12,14)
InChIKeyFNDLQJUKLMIFNS-UHFFFAOYSA-N
XLogP2.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.89
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 3-(4-methylpentoxy)pentanethioamide 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 3-(4-methylpentoxy)pentanethioamide?
The IUPAC name of 3-(4-methylpentoxy)pentanethioamide (CID 43368873) is 3-(4-methylpentoxy)pentanethioamide.
What is the SMILES notation for 3-(4-methylpentoxy)pentanethioamide?
The canonical SMILES for 3-(4-methylpentoxy)pentanethioamide is CCC(CC(N)=S)OCCCC(C)C.
What is the InChIKey of 3-(4-methylpentoxy)pentanethioamide?
The InChIKey is FNDLQJUKLMIFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-4-10(8-11(12)14)13-7-5-6-9(2)3/h9-10H,4-8H2,1-3H3,(H2,12,14).
What are the key properties of 3-(4-methylpentoxy)pentanethioamide?
3-(4-methylpentoxy)pentanethioamide has a molecular weight of 217.38 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpentoxy)pentanethioamide is sourced from PubChem (CID 43368873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).