2-methyl-N-[(Z)-prop-1-enyl]propanethioamide

C7H13NS — CID 130335453

IUPAC2-methyl-N-[(Z)-prop-1-enyl]propanethioamide
SMILESC/C=C\NC(=S)C(C)C
InChIInChI=1S/C7H13NS/c1-4-5-8-7(9)6(2)3/h4-6H,1-3H3,(H,8,9)/b5-4-
InChIKeyRZNYCFCNZNNNLM-PLNGDYQASA-N
MW143.25 g/mol
LogP2.09
Rot. Bonds2

About 2-methyl-N-[(Z)-prop-1-enyl]propanethioamide

2-methyl-N-[(Z)-prop-1-enyl]propanethioamide (PubChem CID 130335453) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 2-methyl-N-[(Z)-prop-1-enyl]propanethioamide.

Molecular Properties

Compound Name2-methyl-N-[(Z)-prop-1-enyl]propanethioamide
PubChem CID130335453
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name2-methyl-N-[(Z)-prop-1-enyl]propanethioamide
SMILESC/C=C\NC(=S)C(C)C
InChIInChI=1S/C7H13NS/c1-4-5-8-7(9)6(2)3/h4-6H,1-3H3,(H,8,9)/b5-4-
InChIKeyRZNYCFCNZNNNLM-PLNGDYQASA-N
XLogP2.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-methyl-N-[(Z)-prop-1-enyl]propanethioamide?
The IUPAC name of 2-methyl-N-[(Z)-prop-1-enyl]propanethioamide (CID 130335453) is 2-methyl-N-[(Z)-prop-1-enyl]propanethioamide.
What is the SMILES notation for 2-methyl-N-[(Z)-prop-1-enyl]propanethioamide?
The canonical SMILES for 2-methyl-N-[(Z)-prop-1-enyl]propanethioamide is C/C=C\NC(=S)C(C)C.
What is the InChIKey of 2-methyl-N-[(Z)-prop-1-enyl]propanethioamide?
The InChIKey is RZNYCFCNZNNNLM-PLNGDYQASA-N. The full InChI is InChI=1S/C7H13NS/c1-4-5-8-7(9)6(2)3/h4-6H,1-3H3,(H,8,9)/b5-4-.
What are the key properties of 2-methyl-N-[(Z)-prop-1-enyl]propanethioamide?
2-methyl-N-[(Z)-prop-1-enyl]propanethioamide has a molecular weight of 143.25 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(Z)-prop-1-enyl]propanethioamide is sourced from PubChem (CID 130335453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).