3-ethoxypentanethioamide

C7H15NOS — CID 43175214

IUPAC3-ethoxypentanethioamide
SMILESCCOC(CC)CC(N)=S
InChIInChI=1S/C7H15NOS/c1-3-6(9-4-2)5-7(8)10/h6H,3-5H2,1-2H3,(H2,8,10)
InChIKeyRRNODEQWIOWZTJ-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.48
Rot. Bonds5

About 3-ethoxypentanethioamide

3-ethoxypentanethioamide (PubChem CID 43175214) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 3-ethoxypentanethioamide.

Molecular Properties

Compound Name3-ethoxypentanethioamide
PubChem CID43175214
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name3-ethoxypentanethioamide
SMILESCCOC(CC)CC(N)=S
InChIInChI=1S/C7H15NOS/c1-3-6(9-4-2)5-7(8)10/h6H,3-5H2,1-2H3,(H2,8,10)
InChIKeyRRNODEQWIOWZTJ-UHFFFAOYSA-N
XLogP1.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylbutan-2-yloxy)pentanethioamide
CID 43368878
3-ethylpentanethioamide
CID 82925647
(2S)-2-ethoxybutan-1-ol
CID 89167253
3-(4-methylphenoxy)pentanethioamide
CID 43368539
ethane;2-ethoxybutan-1-amine
CID 176948064
2-ethoxybutan-1-amine;hydrochloride
CID 53398977
3-methylpentanethioamide
CID 54078997
3-ethoxy-N-methylpentanamide
CID 123953806
(2S)-2-ethoxy-1-fluorobutane
CID 153031370
4,4-diethoxybutanethioamide
CID 100936326
3-(4-propoxyphenoxy)pentanethioamide
CID 43368833
3-(2,5-dichlorophenoxy)pentanethioamide
CID 43175286

Frequently Asked Questions

What is the IUPAC name of 3-ethoxypentanethioamide?
The IUPAC name of 3-ethoxypentanethioamide (CID 43175214) is 3-ethoxypentanethioamide.
What is the SMILES notation for 3-ethoxypentanethioamide?
The canonical SMILES for 3-ethoxypentanethioamide is CCOC(CC)CC(N)=S.
What is the InChIKey of 3-ethoxypentanethioamide?
The InChIKey is RRNODEQWIOWZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-3-6(9-4-2)5-7(8)10/h6H,3-5H2,1-2H3,(H2,8,10).
What are the key properties of 3-ethoxypentanethioamide?
3-ethoxypentanethioamide has a molecular weight of 161.27 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxypentanethioamide is sourced from PubChem (CID 43175214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).