2-tert-butylsulfanyl-N-[(2-hydroxycyclohexyl)methyl]acetamide

C13H25NO2S — CID 64913015

IUPAC2-tert-butylsulfanyl-N-[(2-hydroxycyclohexyl)methyl]acetamide
SMILESCC(C)(C)SCC(=O)NCC1CCCCC1O
InChIInChI=1S/C13H25NO2S/c1-13(2,3)17-9-12(16)14-8-10-6-4-5-7-11(10)15/h10-11,15H,4-9H2,1-3H3,(H,14,16)
InChIKeyUWUDNCAQYUMHLM-UHFFFAOYSA-N
MW259.41 g/mol
LogP2.19
Rot. Bonds4

About 2-tert-butylsulfanyl-N-[(2-hydroxycyclohexyl)methyl]acetamide

2-tert-butylsulfanyl-N-[(2-hydroxycyclohexyl)methyl]acetamide (PubChem CID 64913015) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-[(2-hydroxycyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-[(2-hydroxycyclohexyl)methyl]acetamide
PubChem CID64913015
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC Name2-tert-butylsulfanyl-N-[(2-hydroxycyclohexyl)methyl]acetamide
SMILESCC(C)(C)SCC(=O)NCC1CCCCC1O
InChIInChI=1S/C13H25NO2S/c1-13(2,3)17-9-12(16)14-8-10-6-4-5-7-11(10)15/h10-11,15H,4-9H2,1-3H3,(H,14,16)
InChIKeyUWUDNCAQYUMHLM-UHFFFAOYSA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-[(2-hydroxycyclohexyl)methyl]acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-[(2-hydroxycyclohexyl)methyl]acetamide (CID 64913015) is 2-tert-butylsulfanyl-N-[(2-hydroxycyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-[(2-hydroxycyclohexyl)methyl]acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-[(2-hydroxycyclohexyl)methyl]acetamide is CC(C)(C)SCC(=O)NCC1CCCCC1O.
What is the InChIKey of 2-tert-butylsulfanyl-N-[(2-hydroxycyclohexyl)methyl]acetamide?
The InChIKey is UWUDNCAQYUMHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-13(2,3)17-9-12(16)14-8-10-6-4-5-7-11(10)15/h10-11,15H,4-9H2,1-3H3,(H,14,16).
What are the key properties of 2-tert-butylsulfanyl-N-[(2-hydroxycyclohexyl)methyl]acetamide?
2-tert-butylsulfanyl-N-[(2-hydroxycyclohexyl)methyl]acetamide has a molecular weight of 259.41 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-[(2-hydroxycyclohexyl)methyl]acetamide is sourced from PubChem (CID 64913015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).