5-amino-N-(disulfanyl)-2-hydroxypentanamide

C5H12N2O2S2 — CID 123241228

IUPAC5-amino-N-(disulfanyl)-2-hydroxypentanamide
SMILESNCCCC(O)C(=O)NSS
InChIInChI=1S/C5H12N2O2S2/c6-3-1-2-4(8)5(9)7-11-10/h4,8,10H,1-3,6H2,(H,7,9)
InChIKeyZOBULFOKRCJLKM-UHFFFAOYSA-N
MW196.30 g/mol
LogP-0.30
Rot. Bonds5

About 5-amino-N-(disulfanyl)-2-hydroxypentanamide

5-amino-N-(disulfanyl)-2-hydroxypentanamide (PubChem CID 123241228) has the molecular formula C5H12N2O2S2 and a molecular weight of 196.30 g/mol. Its IUPAC name is 5-amino-N-(disulfanyl)-2-hydroxypentanamide.

Molecular Properties

Compound Name5-amino-N-(disulfanyl)-2-hydroxypentanamide
PubChem CID123241228
Molecular FormulaC5H12N2O2S2
Molecular Weight196.30 g/mol
Exact Mass196.03
IUPAC Name5-amino-N-(disulfanyl)-2-hydroxypentanamide
SMILESNCCCC(O)C(=O)NSS
InChIInChI=1S/C5H12N2O2S2/c6-3-1-2-4(8)5(9)7-11-10/h4,8,10H,1-3,6H2,(H,7,9)
InChIKeyZOBULFOKRCJLKM-UHFFFAOYSA-N
XLogP-0.30
TPSA75.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 5-0.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-N-(disulfanyl)-2-hydroxypentanamide with MolForge

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

Launch Full Analysis

Related Compounds

5-amino-2-hydroxy-N-methylsulfanylpentanamide
CID 91334836
(2S)-2,6-diamino-N-(disulfanyl)hexanamide
CID 167215078
(2S)-3-[(5-amino-2-methylpentanoyl)amino]-2-hydroxypropanoic acid
CID 107835763
6-amino-2-hydroxyhexanoic acid
CID 517029
(2R)-7-amino-2-hydroxyheptanoic acid
CID 144842569
5-amino-N-ethyl-2-methylpentanamide
CID 134525204
methyl (2S)-5-amino-2-methylpentanoate
CID 88555940
(2S)-2,5-diamino-N-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]pentanamide
CID 54003178
5-amino-2-(iodoamino)pentanoic acid
CID 146484863
(3S)-6-amino-3-(methylamino)hexan-2-one
CID 59098893
5-amino-N-butan-2-yl-2-methylpentanamide
CID 112515136
(2R)-2-[(5-amino-2-methylpentanoyl)amino]propanoic acid
CID 103868754

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(disulfanyl)-2-hydroxypentanamide?
The IUPAC name of 5-amino-N-(disulfanyl)-2-hydroxypentanamide (CID 123241228) is 5-amino-N-(disulfanyl)-2-hydroxypentanamide.
What is the SMILES notation for 5-amino-N-(disulfanyl)-2-hydroxypentanamide?
The canonical SMILES for 5-amino-N-(disulfanyl)-2-hydroxypentanamide is NCCCC(O)C(=O)NSS.
What is the InChIKey of 5-amino-N-(disulfanyl)-2-hydroxypentanamide?
The InChIKey is ZOBULFOKRCJLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S2/c6-3-1-2-4(8)5(9)7-11-10/h4,8,10H,1-3,6H2,(H,7,9).
What are the key properties of 5-amino-N-(disulfanyl)-2-hydroxypentanamide?
5-amino-N-(disulfanyl)-2-hydroxypentanamide has a molecular weight of 196.30 g/mol, XLogP of -0.30, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(disulfanyl)-2-hydroxypentanamide is sourced from PubChem (CID 123241228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).