N-(2-methoxyethyl)propanethioamide

C6H13NOS — CID 91406791

IUPACN-(2-methoxyethyl)propanethioamide
SMILESCCC(=S)NCCOC
InChIInChI=1S/C6H13NOS/c1-3-6(9)7-4-5-8-2/h3-5H2,1-2H3,(H,7,9)
InChIKeyVJUUYGJOKJBRTM-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.96
Rot. Bonds4

About N-(2-methoxyethyl)propanethioamide

N-(2-methoxyethyl)propanethioamide (PubChem CID 91406791) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is N-(2-methoxyethyl)propanethioamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)propanethioamide
PubChem CID91406791
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC NameN-(2-methoxyethyl)propanethioamide
SMILESCCC(=S)NCCOC
InChIInChI=1S/C6H13NOS/c1-3-6(9)7-4-5-8-2/h3-5H2,1-2H3,(H,7,9)
InChIKeyVJUUYGJOKJBRTM-UHFFFAOYSA-N
XLogP0.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.96
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)propanethioamide?
The IUPAC name of N-(2-methoxyethyl)propanethioamide (CID 91406791) is N-(2-methoxyethyl)propanethioamide.
What is the SMILES notation for N-(2-methoxyethyl)propanethioamide?
The canonical SMILES for N-(2-methoxyethyl)propanethioamide is CCC(=S)NCCOC.
What is the InChIKey of N-(2-methoxyethyl)propanethioamide?
The InChIKey is VJUUYGJOKJBRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-3-6(9)7-4-5-8-2/h3-5H2,1-2H3,(H,7,9).
What are the key properties of N-(2-methoxyethyl)propanethioamide?
N-(2-methoxyethyl)propanethioamide has a molecular weight of 147.24 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)propanethioamide is sourced from PubChem (CID 91406791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).