N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclobutanecarboxamide

C10H19NO2S — CID 71787167

IUPACN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclobutanecarboxamide
SMILESCSCC(C)(O)CNC(=O)C1CCC1
InChIInChI=1S/C10H19NO2S/c1-10(13,7-14-2)6-11-9(12)8-4-3-5-8/h8,13H,3-7H2,1-2H3,(H,11,12)
InChIKeyZOEQUROLMKRILR-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.02
Rot. Bonds5

About N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclobutanecarboxamide

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclobutanecarboxamide (PubChem CID 71787167) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclobutanecarboxamide
PubChem CID71787167
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclobutanecarboxamide
SMILESCSCC(C)(O)CNC(=O)C1CCC1
InChIInChI=1S/C10H19NO2S/c1-10(13,7-14-2)6-11-9(12)8-4-3-5-8/h8,13H,3-7H2,1-2H3,(H,11,12)
InChIKeyZOEQUROLMKRILR-UHFFFAOYSA-N
XLogP1.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclobutanecarboxamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclobutanecarboxamide (CID 71787167) is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclobutanecarboxamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclobutanecarboxamide is CSCC(C)(O)CNC(=O)C1CCC1.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclobutanecarboxamide?
The InChIKey is ZOEQUROLMKRILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-10(13,7-14-2)6-11-9(12)8-4-3-5-8/h8,13H,3-7H2,1-2H3,(H,11,12).
What are the key properties of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclobutanecarboxamide?
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclobutanecarboxamide has a molecular weight of 217.33 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclobutanecarboxamide is sourced from PubChem (CID 71787167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).