2-cyclopentylsulfanyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide

C12H23NO2S2 — CID 71806383

IUPAC2-cyclopentylsulfanyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
SMILESCSCC(C)(O)CNC(=O)CSC1CCCC1
InChIInChI=1S/C12H23NO2S2/c1-12(15,9-16-2)8-13-11(14)7-17-10-5-3-4-6-10/h10,15H,3-9H2,1-2H3,(H,13,14)
InChIKeyUKNNZWSFEWPTOY-UHFFFAOYSA-N
MW277.45 g/mol
LogP1.89
Rot. Bonds7

About 2-cyclopentylsulfanyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide

2-cyclopentylsulfanyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide (PubChem CID 71806383) has the molecular formula C12H23NO2S2 and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
PubChem CID71806383
Molecular FormulaC12H23NO2S2
Molecular Weight277.45 g/mol
Exact Mass277.12
IUPAC Name2-cyclopentylsulfanyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
SMILESCSCC(C)(O)CNC(=O)CSC1CCCC1
InChIInChI=1S/C12H23NO2S2/c1-12(15,9-16-2)8-13-11(14)7-17-10-5-3-4-6-10/h10,15H,3-9H2,1-2H3,(H,13,14)
InChIKeyUKNNZWSFEWPTOY-UHFFFAOYSA-N
XLogP1.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide (CID 71806383) is 2-cyclopentylsulfanyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide is CSCC(C)(O)CNC(=O)CSC1CCCC1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
The InChIKey is UKNNZWSFEWPTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S2/c1-12(15,9-16-2)8-13-11(14)7-17-10-5-3-4-6-10/h10,15H,3-9H2,1-2H3,(H,13,14).
What are the key properties of 2-cyclopentylsulfanyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
2-cyclopentylsulfanyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide has a molecular weight of 277.45 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide is sourced from PubChem (CID 71806383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).