N-cyclohexyl-N-ethyl-2-(2-hydroxyethylsulfanyl)acetamide

C12H23NO2S — CID 43392414

IUPACN-cyclohexyl-N-ethyl-2-(2-hydroxyethylsulfanyl)acetamide
SMILESCCN(C(=O)CSCCO)C1CCCCC1
InChIInChI=1S/C12H23NO2S/c1-2-13(11-6-4-3-5-7-11)12(15)10-16-9-8-14/h11,14H,2-10H2,1H3
InChIKeyFKGIQMVZEHLYSC-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.89
Rot. Bonds6

About N-cyclohexyl-N-ethyl-2-(2-hydroxyethylsulfanyl)acetamide

N-cyclohexyl-N-ethyl-2-(2-hydroxyethylsulfanyl)acetamide (PubChem CID 43392414) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-(2-hydroxyethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-(2-hydroxyethylsulfanyl)acetamide
PubChem CID43392414
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC NameN-cyclohexyl-N-ethyl-2-(2-hydroxyethylsulfanyl)acetamide
SMILESCCN(C(=O)CSCCO)C1CCCCC1
InChIInChI=1S/C12H23NO2S/c1-2-13(11-6-4-3-5-7-11)12(15)10-16-9-8-14/h11,14H,2-10H2,1H3
InChIKeyFKGIQMVZEHLYSC-UHFFFAOYSA-N
XLogP1.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-(2-hydroxyethylsulfanyl)acetamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2-(2-hydroxyethylsulfanyl)acetamide (CID 43392414) is N-cyclohexyl-N-ethyl-2-(2-hydroxyethylsulfanyl)acetamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-(2-hydroxyethylsulfanyl)acetamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-(2-hydroxyethylsulfanyl)acetamide is CCN(C(=O)CSCCO)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-(2-hydroxyethylsulfanyl)acetamide?
The InChIKey is FKGIQMVZEHLYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-2-13(11-6-4-3-5-7-11)12(15)10-16-9-8-14/h11,14H,2-10H2,1H3.
What are the key properties of N-cyclohexyl-N-ethyl-2-(2-hydroxyethylsulfanyl)acetamide?
N-cyclohexyl-N-ethyl-2-(2-hydroxyethylsulfanyl)acetamide has a molecular weight of 245.39 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-(2-hydroxyethylsulfanyl)acetamide is sourced from PubChem (CID 43392414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).