3-amino-2,2-dimethylpropanethioamide

C5H12N2S — CID 82502414

IUPAC3-amino-2,2-dimethylpropanethioamide
SMILESCC(C)(CN)C(N)=S
InChIInChI=1S/C5H12N2S/c1-5(2,3-6)4(7)8/h3,6H2,1-2H3,(H2,7,8)
InChIKeyZDMCGIQMFZSPCO-UHFFFAOYSA-N
MW132.23 g/mol
LogP0.26
Rot. Bonds2

About 3-amino-2,2-dimethylpropanethioamide

3-amino-2,2-dimethylpropanethioamide (PubChem CID 82502414) has the molecular formula C5H12N2S and a molecular weight of 132.23 g/mol. Its IUPAC name is 3-amino-2,2-dimethylpropanethioamide.

Molecular Properties

Compound Name3-amino-2,2-dimethylpropanethioamide
PubChem CID82502414
Molecular FormulaC5H12N2S
Molecular Weight132.23 g/mol
Exact Mass132.07
IUPAC Name3-amino-2,2-dimethylpropanethioamide
SMILESCC(C)(CN)C(N)=S
InChIInChI=1S/C5H12N2S/c1-5(2,3-6)4(7)8/h3,6H2,1-2H3,(H2,7,8)
InChIKeyZDMCGIQMFZSPCO-UHFFFAOYSA-N
XLogP0.26
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 50.26
H-Bond Donors ≤ 52
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 3-amino-2,2-dimethylpropanethioamide?
The IUPAC name of 3-amino-2,2-dimethylpropanethioamide (CID 82502414) is 3-amino-2,2-dimethylpropanethioamide.
What is the SMILES notation for 3-amino-2,2-dimethylpropanethioamide?
The canonical SMILES for 3-amino-2,2-dimethylpropanethioamide is CC(C)(CN)C(N)=S.
What is the InChIKey of 3-amino-2,2-dimethylpropanethioamide?
The InChIKey is ZDMCGIQMFZSPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2S/c1-5(2,3-6)4(7)8/h3,6H2,1-2H3,(H2,7,8).
What are the key properties of 3-amino-2,2-dimethylpropanethioamide?
3-amino-2,2-dimethylpropanethioamide has a molecular weight of 132.23 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethylpropanethioamide is sourced from PubChem (CID 82502414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).