N-cyclohexyl-N-(2-hydroxyethyl)-2-propan-2-ylsulfanylacetamide

C13H25NO2S — CID 54942483

IUPACN-cyclohexyl-N-(2-hydroxyethyl)-2-propan-2-ylsulfanylacetamide
SMILESCC(C)SCC(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C13H25NO2S/c1-11(2)17-10-13(16)14(8-9-15)12-6-4-3-5-7-12/h11-12,15H,3-10H2,1-2H3
InChIKeyMETOUCWPNXHOFM-UHFFFAOYSA-N
MW259.41 g/mol
LogP2.28
Rot. Bonds6

About N-cyclohexyl-N-(2-hydroxyethyl)-2-propan-2-ylsulfanylacetamide

N-cyclohexyl-N-(2-hydroxyethyl)-2-propan-2-ylsulfanylacetamide (PubChem CID 54942483) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is N-cyclohexyl-N-(2-hydroxyethyl)-2-propan-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(2-hydroxyethyl)-2-propan-2-ylsulfanylacetamide
PubChem CID54942483
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC NameN-cyclohexyl-N-(2-hydroxyethyl)-2-propan-2-ylsulfanylacetamide
SMILESCC(C)SCC(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C13H25NO2S/c1-11(2)17-10-13(16)14(8-9-15)12-6-4-3-5-7-12/h11-12,15H,3-10H2,1-2H3
InChIKeyMETOUCWPNXHOFM-UHFFFAOYSA-N
XLogP2.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(2-hydroxyethyl)-2-propan-2-ylsulfanylacetamide?
The IUPAC name of N-cyclohexyl-N-(2-hydroxyethyl)-2-propan-2-ylsulfanylacetamide (CID 54942483) is N-cyclohexyl-N-(2-hydroxyethyl)-2-propan-2-ylsulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-N-(2-hydroxyethyl)-2-propan-2-ylsulfanylacetamide?
The canonical SMILES for N-cyclohexyl-N-(2-hydroxyethyl)-2-propan-2-ylsulfanylacetamide is CC(C)SCC(=O)N(CCO)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-(2-hydroxyethyl)-2-propan-2-ylsulfanylacetamide?
The InChIKey is METOUCWPNXHOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-11(2)17-10-13(16)14(8-9-15)12-6-4-3-5-7-12/h11-12,15H,3-10H2,1-2H3.
What are the key properties of N-cyclohexyl-N-(2-hydroxyethyl)-2-propan-2-ylsulfanylacetamide?
N-cyclohexyl-N-(2-hydroxyethyl)-2-propan-2-ylsulfanylacetamide has a molecular weight of 259.41 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(2-hydroxyethyl)-2-propan-2-ylsulfanylacetamide is sourced from PubChem (CID 54942483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).