N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-sulfanylpropanamide

C9H19NO2S — CID 107032116

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-sulfanylpropanamide
SMILESCCN(CC(C)(C)O)C(=O)C(C)S
InChIInChI=1S/C9H19NO2S/c1-5-10(6-9(3,4)12)8(11)7(2)13/h7,12-13H,5-6H2,1-4H3
InChIKeyQMNQJARESNEPOK-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.92
Rot. Bonds4

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-sulfanylpropanamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-sulfanylpropanamide (PubChem CID 107032116) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-sulfanylpropanamide
PubChem CID107032116
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-sulfanylpropanamide
SMILESCCN(CC(C)(C)O)C(=O)C(C)S
InChIInChI=1S/C9H19NO2S/c1-5-10(6-9(3,4)12)8(11)7(2)13/h7,12-13H,5-6H2,1-4H3
InChIKeyQMNQJARESNEPOK-UHFFFAOYSA-N
XLogP0.92
TPSA40.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-sulfanylpropanamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-sulfanylpropanamide (CID 107032116) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-sulfanylpropanamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-sulfanylpropanamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-sulfanylpropanamide is CCN(CC(C)(C)O)C(=O)C(C)S.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-sulfanylpropanamide?
The InChIKey is QMNQJARESNEPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-5-10(6-9(3,4)12)8(11)7(2)13/h7,12-13H,5-6H2,1-4H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-sulfanylpropanamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-sulfanylpropanamide has a molecular weight of 205.32 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-sulfanylpropanamide is sourced from PubChem (CID 107032116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).