N-(2-hydroxyethyl)-N'-(2-sulfanylethyl)butanediamide

C8H16N2O3S — CID 15293891

IUPACN-(2-hydroxyethyl)-N'-(2-sulfanylethyl)butanediamide
SMILESO=C(CCC(=O)NCCS)NCCO
InChIInChI=1S/C8H16N2O3S/c11-5-3-9-7(12)1-2-8(13)10-4-6-14/h11,14H,1-6H2,(H,9,12)(H,10,13)
InChIKeyCNMJLEFZQCGEHR-UHFFFAOYSA-N
MW220.29 g/mol
LogP-1.08
Rot. Bonds7

About N-(2-hydroxyethyl)-N'-(2-sulfanylethyl)butanediamide

N-(2-hydroxyethyl)-N'-(2-sulfanylethyl)butanediamide (PubChem CID 15293891) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N'-(2-sulfanylethyl)butanediamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N'-(2-sulfanylethyl)butanediamide
PubChem CID15293891
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC NameN-(2-hydroxyethyl)-N'-(2-sulfanylethyl)butanediamide
SMILESO=C(CCC(=O)NCCS)NCCO
InChIInChI=1S/C8H16N2O3S/c11-5-3-9-7(12)1-2-8(13)10-4-6-14/h11,14H,1-6H2,(H,9,12)(H,10,13)
InChIKeyCNMJLEFZQCGEHR-UHFFFAOYSA-N
XLogP-1.08
TPSA78.43 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-1.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-(2-hydroxyethyl)-N'-(2-sulfanylethyl)butanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N'-(2-sulfanylethyl)butanediamide?
The IUPAC name of N-(2-hydroxyethyl)-N'-(2-sulfanylethyl)butanediamide (CID 15293891) is N-(2-hydroxyethyl)-N'-(2-sulfanylethyl)butanediamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N'-(2-sulfanylethyl)butanediamide?
The canonical SMILES for N-(2-hydroxyethyl)-N'-(2-sulfanylethyl)butanediamide is O=C(CCC(=O)NCCS)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-N'-(2-sulfanylethyl)butanediamide?
The InChIKey is CNMJLEFZQCGEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c11-5-3-9-7(12)1-2-8(13)10-4-6-14/h11,14H,1-6H2,(H,9,12)(H,10,13).
What are the key properties of N-(2-hydroxyethyl)-N'-(2-sulfanylethyl)butanediamide?
N-(2-hydroxyethyl)-N'-(2-sulfanylethyl)butanediamide has a molecular weight of 220.29 g/mol, XLogP of -1.08, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N'-(2-sulfanylethyl)butanediamide is sourced from PubChem (CID 15293891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).