3-hydroxy-N-[2-(3-sulfanylpropanoylamino)ethyl]propanamide

C8H16N2O3S — CID 131977326

IUPAC3-hydroxy-N-[2-(3-sulfanylpropanoylamino)ethyl]propanamide
SMILESO=C(CCO)NCCNC(=O)CCS
InChIInChI=1S/C8H16N2O3S/c11-5-1-7(12)9-3-4-10-8(13)2-6-14/h11,14H,1-6H2,(H,9,12)(H,10,13)
InChIKeyKOZJXULNEZVASE-UHFFFAOYSA-N
MW220.29 g/mol
LogP-1.08
Rot. Bonds7

About 3-hydroxy-N-[2-(3-sulfanylpropanoylamino)ethyl]propanamide

3-hydroxy-N-[2-(3-sulfanylpropanoylamino)ethyl]propanamide (PubChem CID 131977326) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 3-hydroxy-N-[2-(3-sulfanylpropanoylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-hydroxy-N-[2-(3-sulfanylpropanoylamino)ethyl]propanamide
PubChem CID131977326
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name3-hydroxy-N-[2-(3-sulfanylpropanoylamino)ethyl]propanamide
SMILESO=C(CCO)NCCNC(=O)CCS
InChIInChI=1S/C8H16N2O3S/c11-5-1-7(12)9-3-4-10-8(13)2-6-14/h11,14H,1-6H2,(H,9,12)(H,10,13)
InChIKeyKOZJXULNEZVASE-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-(3-sulfanylpropanoylamino)ethyl]propanamide?
The IUPAC name of 3-hydroxy-N-[2-(3-sulfanylpropanoylamino)ethyl]propanamide (CID 131977326) is 3-hydroxy-N-[2-(3-sulfanylpropanoylamino)ethyl]propanamide.
What is the SMILES notation for 3-hydroxy-N-[2-(3-sulfanylpropanoylamino)ethyl]propanamide?
The canonical SMILES for 3-hydroxy-N-[2-(3-sulfanylpropanoylamino)ethyl]propanamide is O=C(CCO)NCCNC(=O)CCS.
What is the InChIKey of 3-hydroxy-N-[2-(3-sulfanylpropanoylamino)ethyl]propanamide?
The InChIKey is KOZJXULNEZVASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c11-5-1-7(12)9-3-4-10-8(13)2-6-14/h11,14H,1-6H2,(H,9,12)(H,10,13).
What are the key properties of 3-hydroxy-N-[2-(3-sulfanylpropanoylamino)ethyl]propanamide?
3-hydroxy-N-[2-(3-sulfanylpropanoylamino)ethyl]propanamide 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 3-hydroxy-N-[2-(3-sulfanylpropanoylamino)ethyl]propanamide is sourced from PubChem (CID 131977326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).