2-tert-butylsulfanyl-N-cyclohexyl-N-(2-hydroxyethyl)acetamide

C14H27NO2S — CID 54942876

IUPAC2-tert-butylsulfanyl-N-cyclohexyl-N-(2-hydroxyethyl)acetamide
SMILESCC(C)(C)SCC(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C14H27NO2S/c1-14(2,3)18-11-13(17)15(9-10-16)12-7-5-4-6-8-12/h12,16H,4-11H2,1-3H3
InChIKeyFFNMTSSCHLJOAJ-UHFFFAOYSA-N
MW273.44 g/mol
LogP2.67
Rot. Bonds5

About 2-tert-butylsulfanyl-N-cyclohexyl-N-(2-hydroxyethyl)acetamide

2-tert-butylsulfanyl-N-cyclohexyl-N-(2-hydroxyethyl)acetamide (PubChem CID 54942876) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-cyclohexyl-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-cyclohexyl-N-(2-hydroxyethyl)acetamide
PubChem CID54942876
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC Name2-tert-butylsulfanyl-N-cyclohexyl-N-(2-hydroxyethyl)acetamide
SMILESCC(C)(C)SCC(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C14H27NO2S/c1-14(2,3)18-11-13(17)15(9-10-16)12-7-5-4-6-8-12/h12,16H,4-11H2,1-3H3
InChIKeyFFNMTSSCHLJOAJ-UHFFFAOYSA-N
XLogP2.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-cyclohexyl-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-cyclohexyl-N-(2-hydroxyethyl)acetamide (CID 54942876) is 2-tert-butylsulfanyl-N-cyclohexyl-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-cyclohexyl-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-cyclohexyl-N-(2-hydroxyethyl)acetamide is CC(C)(C)SCC(=O)N(CCO)C1CCCCC1.
What is the InChIKey of 2-tert-butylsulfanyl-N-cyclohexyl-N-(2-hydroxyethyl)acetamide?
The InChIKey is FFNMTSSCHLJOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-14(2,3)18-11-13(17)15(9-10-16)12-7-5-4-6-8-12/h12,16H,4-11H2,1-3H3.
What are the key properties of 2-tert-butylsulfanyl-N-cyclohexyl-N-(2-hydroxyethyl)acetamide?
2-tert-butylsulfanyl-N-cyclohexyl-N-(2-hydroxyethyl)acetamide has a molecular weight of 273.44 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-cyclohexyl-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 54942876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).