N-hydroxy-2,2-dimethylbutanethioamide

C6H13NOS — CID 54156208

IUPACN-hydroxy-2,2-dimethylbutanethioamide
SMILESCCC(C)(C)C(=S)NO
InChIInChI=1S/C6H13NOS/c1-4-6(2,3)5(9)7-8/h8H,4H2,1-3H3,(H,7,9)
InChIKeyOLFOGDLPQCHIKP-UHFFFAOYSA-N
MW147.24 g/mol
LogP1.73
Rot. Bonds2

About N-hydroxy-2,2-dimethylbutanethioamide

N-hydroxy-2,2-dimethylbutanethioamide (PubChem CID 54156208) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is N-hydroxy-2,2-dimethylbutanethioamide.

Molecular Properties

Compound NameN-hydroxy-2,2-dimethylbutanethioamide
PubChem CID54156208
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC NameN-hydroxy-2,2-dimethylbutanethioamide
SMILESCCC(C)(C)C(=S)NO
InChIInChI=1S/C6H13NOS/c1-4-6(2,3)5(9)7-8/h8H,4H2,1-3H3,(H,7,9)
InChIKeyOLFOGDLPQCHIKP-UHFFFAOYSA-N
XLogP1.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2,2-dimethylbutanethioamide?
The IUPAC name of N-hydroxy-2,2-dimethylbutanethioamide (CID 54156208) is N-hydroxy-2,2-dimethylbutanethioamide.
What is the SMILES notation for N-hydroxy-2,2-dimethylbutanethioamide?
The canonical SMILES for N-hydroxy-2,2-dimethylbutanethioamide is CCC(C)(C)C(=S)NO.
What is the InChIKey of N-hydroxy-2,2-dimethylbutanethioamide?
The InChIKey is OLFOGDLPQCHIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-4-6(2,3)5(9)7-8/h8H,4H2,1-3H3,(H,7,9).
What are the key properties of N-hydroxy-2,2-dimethylbutanethioamide?
N-hydroxy-2,2-dimethylbutanethioamide has a molecular weight of 147.24 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2,2-dimethylbutanethioamide is sourced from PubChem (CID 54156208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).