4-methoxy-4-methylpentanethioamide

C7H15NOS — CID 103033672

IUPAC4-methoxy-4-methylpentanethioamide
SMILESCOC(C)(C)CCC(N)=S
InChIInChI=1S/C7H15NOS/c1-7(2,9-3)5-4-6(8)10/h4-5H2,1-3H3,(H2,8,10)
InChIKeyPVMSYDBWCHOQDG-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.48
Rot. Bonds4

About 4-methoxy-4-methylpentanethioamide

4-methoxy-4-methylpentanethioamide (PubChem CID 103033672) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 4-methoxy-4-methylpentanethioamide.

Molecular Properties

Compound Name4-methoxy-4-methylpentanethioamide
PubChem CID103033672
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name4-methoxy-4-methylpentanethioamide
SMILESCOC(C)(C)CCC(N)=S
InChIInChI=1S/C7H15NOS/c1-7(2,9-3)5-4-6(8)10/h4-5H2,1-3H3,(H2,8,10)
InChIKeyPVMSYDBWCHOQDG-UHFFFAOYSA-N
XLogP1.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methylpentanethioamide?
The IUPAC name of 4-methoxy-4-methylpentanethioamide (CID 103033672) is 4-methoxy-4-methylpentanethioamide.
What is the SMILES notation for 4-methoxy-4-methylpentanethioamide?
The canonical SMILES for 4-methoxy-4-methylpentanethioamide is COC(C)(C)CCC(N)=S.
What is the InChIKey of 4-methoxy-4-methylpentanethioamide?
The InChIKey is PVMSYDBWCHOQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-7(2,9-3)5-4-6(8)10/h4-5H2,1-3H3,(H2,8,10).
What are the key properties of 4-methoxy-4-methylpentanethioamide?
4-methoxy-4-methylpentanethioamide has a molecular weight of 161.27 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methylpentanethioamide is sourced from PubChem (CID 103033672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).