N-ethyl-N-(2-hydroxy-2-methylpropyl)thiolane-3-carboxamide

C11H21NO2S — CID 79387282

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)thiolane-3-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)C1CCSC1
InChIInChI=1S/C11H21NO2S/c1-4-12(8-11(2,3)14)10(13)9-5-6-15-7-9/h9,14H,4-8H2,1-3H3
InChIKeyAOLWDWWNAYXXGX-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.36
Rot. Bonds4

About N-ethyl-N-(2-hydroxy-2-methylpropyl)thiolane-3-carboxamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)thiolane-3-carboxamide (PubChem CID 79387282) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)thiolane-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)thiolane-3-carboxamide
PubChem CID79387282
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)thiolane-3-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)C1CCSC1
InChIInChI=1S/C11H21NO2S/c1-4-12(8-11(2,3)14)10(13)9-5-6-15-7-9/h9,14H,4-8H2,1-3H3
InChIKeyAOLWDWWNAYXXGX-UHFFFAOYSA-N
XLogP1.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)thiolane-3-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)thiolane-3-carboxamide (CID 79387282) is N-ethyl-N-(2-hydroxy-2-methylpropyl)thiolane-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)thiolane-3-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)thiolane-3-carboxamide is CCN(CC(C)(C)O)C(=O)C1CCSC1.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)thiolane-3-carboxamide?
The InChIKey is AOLWDWWNAYXXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-4-12(8-11(2,3)14)10(13)9-5-6-15-7-9/h9,14H,4-8H2,1-3H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)thiolane-3-carboxamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)thiolane-3-carboxamide has a molecular weight of 231.36 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)thiolane-3-carboxamide is sourced from PubChem (CID 79387282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).