N-(2-hydroxyethyl)-2-[2-(2-hydroxyethylamino)-2-oxoethyl]sulfanylacetamide

C8H16N2O4S — CID 15267296

IUPACN-(2-hydroxyethyl)-2-[2-(2-hydroxyethylamino)-2-oxoethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)NCCO)NCCO
InChIInChI=1S/C8H16N2O4S/c11-3-1-9-7(13)5-15-6-8(14)10-2-4-12/h11-12H,1-6H2,(H,9,13)(H,10,14)
InChIKeyOJCJDWLZTPMLBM-UHFFFAOYSA-N
MW236.29 g/mol
LogP-2.06
Rot. Bonds8

About N-(2-hydroxyethyl)-2-[2-(2-hydroxyethylamino)-2-oxoethyl]sulfanylacetamide

N-(2-hydroxyethyl)-2-[2-(2-hydroxyethylamino)-2-oxoethyl]sulfanylacetamide (PubChem CID 15267296) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[2-(2-hydroxyethylamino)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[2-(2-hydroxyethylamino)-2-oxoethyl]sulfanylacetamide
PubChem CID15267296
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC NameN-(2-hydroxyethyl)-2-[2-(2-hydroxyethylamino)-2-oxoethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)NCCO)NCCO
InChIInChI=1S/C8H16N2O4S/c11-3-1-9-7(13)5-15-6-8(14)10-2-4-12/h11-12H,1-6H2,(H,9,13)(H,10,14)
InChIKeyOJCJDWLZTPMLBM-UHFFFAOYSA-N
XLogP-2.06
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-2.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[2-(2-hydroxyethylamino)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[2-(2-hydroxyethylamino)-2-oxoethyl]sulfanylacetamide (CID 15267296) is N-(2-hydroxyethyl)-2-[2-(2-hydroxyethylamino)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[2-(2-hydroxyethylamino)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[2-(2-hydroxyethylamino)-2-oxoethyl]sulfanylacetamide is O=C(CSCC(=O)NCCO)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-[2-(2-hydroxyethylamino)-2-oxoethyl]sulfanylacetamide?
The InChIKey is OJCJDWLZTPMLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c11-3-1-9-7(13)5-15-6-8(14)10-2-4-12/h11-12H,1-6H2,(H,9,13)(H,10,14).
What are the key properties of N-(2-hydroxyethyl)-2-[2-(2-hydroxyethylamino)-2-oxoethyl]sulfanylacetamide?
N-(2-hydroxyethyl)-2-[2-(2-hydroxyethylamino)-2-oxoethyl]sulfanylacetamide has a molecular weight of 236.29 g/mol, XLogP of -2.06, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[2-(2-hydroxyethylamino)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 15267296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).