2-cyclopropyl-2-methoxyethanethioamide

C6H11NOS — CID 116701195

IUPAC2-cyclopropyl-2-methoxyethanethioamide
SMILESCOC(C(N)=S)C1CC1
InChIInChI=1S/C6H11NOS/c1-8-5(6(7)9)4-2-3-4/h4-5H,2-3H2,1H3,(H2,7,9)
InChIKeyRVHMNKRLMBBCES-UHFFFAOYSA-N
MW145.23 g/mol
LogP0.70
Rot. Bonds3

About 2-cyclopropyl-2-methoxyethanethioamide

2-cyclopropyl-2-methoxyethanethioamide (PubChem CID 116701195) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is 2-cyclopropyl-2-methoxyethanethioamide.

Molecular Properties

Compound Name2-cyclopropyl-2-methoxyethanethioamide
PubChem CID116701195
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name2-cyclopropyl-2-methoxyethanethioamide
SMILESCOC(C(N)=S)C1CC1
InChIInChI=1S/C6H11NOS/c1-8-5(6(7)9)4-2-3-4/h4-5H,2-3H2,1H3,(H2,7,9)
InChIKeyRVHMNKRLMBBCES-UHFFFAOYSA-N
XLogP0.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.70
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 2-cyclopropyl-2-methoxyethanethioamide?
The IUPAC name of 2-cyclopropyl-2-methoxyethanethioamide (CID 116701195) is 2-cyclopropyl-2-methoxyethanethioamide.
What is the SMILES notation for 2-cyclopropyl-2-methoxyethanethioamide?
The canonical SMILES for 2-cyclopropyl-2-methoxyethanethioamide is COC(C(N)=S)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-methoxyethanethioamide?
The InChIKey is RVHMNKRLMBBCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c1-8-5(6(7)9)4-2-3-4/h4-5H,2-3H2,1H3,(H2,7,9).
What are the key properties of 2-cyclopropyl-2-methoxyethanethioamide?
2-cyclopropyl-2-methoxyethanethioamide has a molecular weight of 145.23 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methoxyethanethioamide is sourced from PubChem (CID 116701195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).