3-(2-methylpropoxy)propanethioamide

C7H15NOS — CID 24697367

IUPAC3-(2-methylpropoxy)propanethioamide
SMILESCC(C)COCCC(N)=S
InChIInChI=1S/C7H15NOS/c1-6(2)5-9-4-3-7(8)10/h6H,3-5H2,1-2H3,(H2,8,10)
InChIKeyQHGZYUNNQYOBNO-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.34
Rot. Bonds5

About 3-(2-methylpropoxy)propanethioamide

3-(2-methylpropoxy)propanethioamide (PubChem CID 24697367) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 3-(2-methylpropoxy)propanethioamide.

Molecular Properties

Compound Name3-(2-methylpropoxy)propanethioamide
PubChem CID24697367
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name3-(2-methylpropoxy)propanethioamide
SMILESCC(C)COCCC(N)=S
InChIInChI=1S/C7H15NOS/c1-6(2)5-9-4-3-7(8)10/h6H,3-5H2,1-2H3,(H2,8,10)
InChIKeyQHGZYUNNQYOBNO-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
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 3-(2-methylpropoxy)propanethioamide?
The IUPAC name of 3-(2-methylpropoxy)propanethioamide (CID 24697367) is 3-(2-methylpropoxy)propanethioamide.
What is the SMILES notation for 3-(2-methylpropoxy)propanethioamide?
The canonical SMILES for 3-(2-methylpropoxy)propanethioamide is CC(C)COCCC(N)=S.
What is the InChIKey of 3-(2-methylpropoxy)propanethioamide?
The InChIKey is QHGZYUNNQYOBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-6(2)5-9-4-3-7(8)10/h6H,3-5H2,1-2H3,(H2,8,10).
What are the key properties of 3-(2-methylpropoxy)propanethioamide?
3-(2-methylpropoxy)propanethioamide has a molecular weight of 161.27 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)propanethioamide is sourced from PubChem (CID 24697367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).