N-(2-hydroxy-2-methylpropyl)-N-methylthiolane-2-carboxamide

C10H19NO2S — CID 79381254

IUPACN-(2-hydroxy-2-methylpropyl)-N-methylthiolane-2-carboxamide
SMILESCN(CC(C)(C)O)C(=O)C1CCCS1
InChIInChI=1S/C10H19NO2S/c1-10(2,13)7-11(3)9(12)8-5-4-6-14-8/h8,13H,4-7H2,1-3H3
InChIKeyQMVAULRNRVTTJF-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.11
Rot. Bonds3

About N-(2-hydroxy-2-methylpropyl)-N-methylthiolane-2-carboxamide

N-(2-hydroxy-2-methylpropyl)-N-methylthiolane-2-carboxamide (PubChem CID 79381254) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methylthiolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methylthiolane-2-carboxamide
PubChem CID79381254
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methylthiolane-2-carboxamide
SMILESCN(CC(C)(C)O)C(=O)C1CCCS1
InChIInChI=1S/C10H19NO2S/c1-10(2,13)7-11(3)9(12)8-5-4-6-14-8/h8,13H,4-7H2,1-3H3
InChIKeyQMVAULRNRVTTJF-UHFFFAOYSA-N
XLogP1.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methylthiolane-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methylthiolane-2-carboxamide (CID 79381254) is N-(2-hydroxy-2-methylpropyl)-N-methylthiolane-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methylthiolane-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methylthiolane-2-carboxamide is CN(CC(C)(C)O)C(=O)C1CCCS1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methylthiolane-2-carboxamide?
The InChIKey is QMVAULRNRVTTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-10(2,13)7-11(3)9(12)8-5-4-6-14-8/h8,13H,4-7H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methylthiolane-2-carboxamide?
N-(2-hydroxy-2-methylpropyl)-N-methylthiolane-2-carboxamide has a molecular weight of 217.33 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methylthiolane-2-carboxamide is sourced from PubChem (CID 79381254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).