N,3-dimethylbut-2-enethioamide

C6H11NS — CID 15634520

IUPACN,3-dimethylbut-2-enethioamide
SMILESCNC(=S)C=C(C)C
InChIInChI=1S/C6H11NS/c1-5(2)4-6(8)7-3/h4H,1-3H3,(H,7,8)
InChIKeyBQMONGKNRAVEBA-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.50
Rot. Bonds1

About N,3-dimethylbut-2-enethioamide

N,3-dimethylbut-2-enethioamide (PubChem CID 15634520) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is N,3-dimethylbut-2-enethioamide.

Molecular Properties

Compound NameN,3-dimethylbut-2-enethioamide
PubChem CID15634520
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC NameN,3-dimethylbut-2-enethioamide
SMILESCNC(=S)C=C(C)C
InChIInChI=1S/C6H11NS/c1-5(2)4-6(8)7-3/h4H,1-3H3,(H,7,8)
InChIKeyBQMONGKNRAVEBA-UHFFFAOYSA-N
XLogP1.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N,3-dimethylbut-2-enethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,3-dimethylbut-2-enethioamide?
The IUPAC name of N,3-dimethylbut-2-enethioamide (CID 15634520) is N,3-dimethylbut-2-enethioamide.
What is the SMILES notation for N,3-dimethylbut-2-enethioamide?
The canonical SMILES for N,3-dimethylbut-2-enethioamide is CNC(=S)C=C(C)C.
What is the InChIKey of N,3-dimethylbut-2-enethioamide?
The InChIKey is BQMONGKNRAVEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-5(2)4-6(8)7-3/h4H,1-3H3,(H,7,8).
What are the key properties of N,3-dimethylbut-2-enethioamide?
N,3-dimethylbut-2-enethioamide has a molecular weight of 129.23 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylbut-2-enethioamide is sourced from PubChem (CID 15634520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).