N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-propylacetamide

C13H24N2O4S — CID 61425142

IUPACN-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-propylacetamide
SMILESCCCN(CCO)C(=O)CSCC(=O)N1CCOCC1
InChIInChI=1S/C13H24N2O4S/c1-2-3-14(4-7-16)12(17)10-20-11-13(18)15-5-8-19-9-6-15/h16H,2-11H2,1H3
InChIKeyBEPADMNWXBSZLG-UHFFFAOYSA-N
MW304.41 g/mol
LogP-0.19
Rot. Bonds8

About N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-propylacetamide

N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-propylacetamide (PubChem CID 61425142) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-propylacetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-propylacetamide
PubChem CID61425142
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC NameN-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-propylacetamide
SMILESCCCN(CCO)C(=O)CSCC(=O)N1CCOCC1
InChIInChI=1S/C13H24N2O4S/c1-2-3-14(4-7-16)12(17)10-20-11-13(18)15-5-8-19-9-6-15/h16H,2-11H2,1H3
InChIKeyBEPADMNWXBSZLG-UHFFFAOYSA-N
XLogP-0.19
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-propylacetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-propylacetamide (CID 61425142) is N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-propylacetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-propylacetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-propylacetamide is CCCN(CCO)C(=O)CSCC(=O)N1CCOCC1.
What is the InChIKey of N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-propylacetamide?
The InChIKey is BEPADMNWXBSZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-2-3-14(4-7-16)12(17)10-20-11-13(18)15-5-8-19-9-6-15/h16H,2-11H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-propylacetamide?
N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-propylacetamide has a molecular weight of 304.41 g/mol, XLogP of -0.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-propylacetamide is sourced from PubChem (CID 61425142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).