2-ethylsulfanyl-N-(2-hydroxyethyl)-N-propylacetamide

C9H19NO2S — CID 146586878

IUPAC2-ethylsulfanyl-N-(2-hydroxyethyl)-N-propylacetamide
SMILESCCCN(CCO)C(=O)CSCC
InChIInChI=1S/C9H19NO2S/c1-3-5-10(6-7-11)9(12)8-13-4-2/h11H,3-8H2,1-2H3
InChIKeyFINAQVXZIUHGOB-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.97
Rot. Bonds7

About 2-ethylsulfanyl-N-(2-hydroxyethyl)-N-propylacetamide

2-ethylsulfanyl-N-(2-hydroxyethyl)-N-propylacetamide (PubChem CID 146586878) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-(2-hydroxyethyl)-N-propylacetamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-(2-hydroxyethyl)-N-propylacetamide
PubChem CID146586878
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name2-ethylsulfanyl-N-(2-hydroxyethyl)-N-propylacetamide
SMILESCCCN(CCO)C(=O)CSCC
InChIInChI=1S/C9H19NO2S/c1-3-5-10(6-7-11)9(12)8-13-4-2/h11H,3-8H2,1-2H3
InChIKeyFINAQVXZIUHGOB-UHFFFAOYSA-N
XLogP0.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-(2-hydroxyethyl)-N-propylacetamide?
The IUPAC name of 2-ethylsulfanyl-N-(2-hydroxyethyl)-N-propylacetamide (CID 146586878) is 2-ethylsulfanyl-N-(2-hydroxyethyl)-N-propylacetamide.
What is the SMILES notation for 2-ethylsulfanyl-N-(2-hydroxyethyl)-N-propylacetamide?
The canonical SMILES for 2-ethylsulfanyl-N-(2-hydroxyethyl)-N-propylacetamide is CCCN(CCO)C(=O)CSCC.
What is the InChIKey of 2-ethylsulfanyl-N-(2-hydroxyethyl)-N-propylacetamide?
The InChIKey is FINAQVXZIUHGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-3-5-10(6-7-11)9(12)8-13-4-2/h11H,3-8H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-N-(2-hydroxyethyl)-N-propylacetamide?
2-ethylsulfanyl-N-(2-hydroxyethyl)-N-propylacetamide has a molecular weight of 205.32 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-(2-hydroxyethyl)-N-propylacetamide is sourced from PubChem (CID 146586878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).