2,2-dimethyl-N-sulfanylpropanamide

C5H11NOS — CID 57024531

IUPAC2,2-dimethyl-N-sulfanylpropanamide
SMILESCC(C)(C)C(=O)NS
InChIInChI=1S/C5H11NOS/c1-5(2,3)4(7)6-8/h8H,1-3H3,(H,6,7)
InChIKeyRZQOAUROAHKPRB-UHFFFAOYSA-N
MW133.22 g/mol
LogP0.99
Rot. Bonds

About 2,2-dimethyl-N-sulfanylpropanamide

2,2-dimethyl-N-sulfanylpropanamide (PubChem CID 57024531) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is 2,2-dimethyl-N-sulfanylpropanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-sulfanylpropanamide
PubChem CID57024531
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Name2,2-dimethyl-N-sulfanylpropanamide
SMILESCC(C)(C)C(=O)NS
InChIInChI=1S/C5H11NOS/c1-5(2,3)4(7)6-8/h8H,1-3H3,(H,6,7)
InChIKeyRZQOAUROAHKPRB-UHFFFAOYSA-N
XLogP0.99
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-sulfanylpropanamide?
The IUPAC name of 2,2-dimethyl-N-sulfanylpropanamide (CID 57024531) is 2,2-dimethyl-N-sulfanylpropanamide.
What is the SMILES notation for 2,2-dimethyl-N-sulfanylpropanamide?
The canonical SMILES for 2,2-dimethyl-N-sulfanylpropanamide is CC(C)(C)C(=O)NS.
What is the InChIKey of 2,2-dimethyl-N-sulfanylpropanamide?
The InChIKey is RZQOAUROAHKPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS/c1-5(2,3)4(7)6-8/h8H,1-3H3,(H,6,7).
What are the key properties of 2,2-dimethyl-N-sulfanylpropanamide?
2,2-dimethyl-N-sulfanylpropanamide has a molecular weight of 133.22 g/mol, XLogP of 0.99, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-sulfanylpropanamide is sourced from PubChem (CID 57024531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).