N-ethyl-2-(4-hydroxybutan-2-ylsulfanyl)-N-(2-methylprop-2-enyl)acetamide

C12H23NO2S — CID 65417948

IUPACN-ethyl-2-(4-hydroxybutan-2-ylsulfanyl)-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CSC(C)CCO
InChIInChI=1S/C12H23NO2S/c1-5-13(8-10(2)3)12(15)9-16-11(4)6-7-14/h11,14H,2,5-9H2,1,3-4H3
InChIKeyZDHJPCKEIHZORA-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.92
Rot. Bonds8

About N-ethyl-2-(4-hydroxybutan-2-ylsulfanyl)-N-(2-methylprop-2-enyl)acetamide

N-ethyl-2-(4-hydroxybutan-2-ylsulfanyl)-N-(2-methylprop-2-enyl)acetamide (PubChem CID 65417948) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is N-ethyl-2-(4-hydroxybutan-2-ylsulfanyl)-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(4-hydroxybutan-2-ylsulfanyl)-N-(2-methylprop-2-enyl)acetamide
PubChem CID65417948
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC NameN-ethyl-2-(4-hydroxybutan-2-ylsulfanyl)-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CSC(C)CCO
InChIInChI=1S/C12H23NO2S/c1-5-13(8-10(2)3)12(15)9-16-11(4)6-7-14/h11,14H,2,5-9H2,1,3-4H3
InChIKeyZDHJPCKEIHZORA-UHFFFAOYSA-N
XLogP1.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-hydroxybutan-2-ylsulfanyl)-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of N-ethyl-2-(4-hydroxybutan-2-ylsulfanyl)-N-(2-methylprop-2-enyl)acetamide (CID 65417948) is N-ethyl-2-(4-hydroxybutan-2-ylsulfanyl)-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for N-ethyl-2-(4-hydroxybutan-2-ylsulfanyl)-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for N-ethyl-2-(4-hydroxybutan-2-ylsulfanyl)-N-(2-methylprop-2-enyl)acetamide is C=C(C)CN(CC)C(=O)CSC(C)CCO.
What is the InChIKey of N-ethyl-2-(4-hydroxybutan-2-ylsulfanyl)-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is ZDHJPCKEIHZORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-5-13(8-10(2)3)12(15)9-16-11(4)6-7-14/h11,14H,2,5-9H2,1,3-4H3.
What are the key properties of N-ethyl-2-(4-hydroxybutan-2-ylsulfanyl)-N-(2-methylprop-2-enyl)acetamide?
N-ethyl-2-(4-hydroxybutan-2-ylsulfanyl)-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 245.39 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-hydroxybutan-2-ylsulfanyl)-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 65417948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).