N-(1-selanylpropan-2-yl)-2-sulfanylacetamide

C5H11NOSSe — CID 159609375

IUPACN-(1-selanylpropan-2-yl)-2-sulfanylacetamide
SMILESCC(C[SeH])NC(=O)CS
InChIInChI=1S/C5H11NOSSe/c1-4(3-9)6-5(7)2-8/h4,8-9H,2-3H2,1H3,(H,6,7)
InChIKeyMHMUQONMMJUYLD-UHFFFAOYSA-N
MW212.18 g/mol
LogP-0.26
Rot. Bonds3

About N-(1-selanylpropan-2-yl)-2-sulfanylacetamide

N-(1-selanylpropan-2-yl)-2-sulfanylacetamide (PubChem CID 159609375) has the molecular formula C5H11NOSSe and a molecular weight of 212.18 g/mol. Its IUPAC name is N-(1-selanylpropan-2-yl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(1-selanylpropan-2-yl)-2-sulfanylacetamide
PubChem CID159609375
Molecular FormulaC5H11NOSSe
Molecular Weight212.18 g/mol
Exact Mass212.97
IUPAC NameN-(1-selanylpropan-2-yl)-2-sulfanylacetamide
SMILESCC(C[SeH])NC(=O)CS
InChIInChI=1S/C5H11NOSSe/c1-4(3-9)6-5(7)2-8/h4,8-9H,2-3H2,1H3,(H,6,7)
InChIKeyMHMUQONMMJUYLD-UHFFFAOYSA-N
XLogP-0.26
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-selanylpropan-2-yl)-2-sulfanylacetamide 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

N-(4-phenylbutan-2-yl)-2-sulfanylacetamide
CID 60650069
N-(1-hydroxy-4-methylpentan-3-yl)-2-sulfanylacetamide
CID 106357968
N-[(1R)-1-phenylethyl]-2-sulfanylacetamide
CID 130013972
N-(1-propan-2-ylcyclopropyl)-2-sulfanylacetamide
CID 131071367
2-sulfanyl-N-[1-[(2-sulfanylacetyl)amino]hexyl]acetamide
CID 141139976
[(2S)-1-sulfanylpropan-2-yl]carbamic acid
CID 135369697
(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2-sulfanylacetyl)amino]pentanoyl]amino]pentanamide
CID 46882769
N-ethyl-4,5-bis[(2-sulfanylacetyl)amino]pentanamide
CID 134204313
2-chloro-N-[4-[(2-chloroacetyl)amino]pentan-2-yl]acetamide
CID 87981003
1-sulfanylpropan-2-ylurea
CID 89224596
(2S)-4-hydroxy-2-[(2-sulfanylacetyl)amino]butanoic acid
CID 91260947
N-(4-methylsulfinylbutan-2-yl)-3-sulfanylpropanamide
CID 107035623

Frequently Asked Questions

What is the IUPAC name of N-(1-selanylpropan-2-yl)-2-sulfanylacetamide?
The IUPAC name of N-(1-selanylpropan-2-yl)-2-sulfanylacetamide (CID 159609375) is N-(1-selanylpropan-2-yl)-2-sulfanylacetamide.
What is the SMILES notation for N-(1-selanylpropan-2-yl)-2-sulfanylacetamide?
The canonical SMILES for N-(1-selanylpropan-2-yl)-2-sulfanylacetamide is CC(C[SeH])NC(=O)CS.
What is the InChIKey of N-(1-selanylpropan-2-yl)-2-sulfanylacetamide?
The InChIKey is MHMUQONMMJUYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOSSe/c1-4(3-9)6-5(7)2-8/h4,8-9H,2-3H2,1H3,(H,6,7).
What are the key properties of N-(1-selanylpropan-2-yl)-2-sulfanylacetamide?
N-(1-selanylpropan-2-yl)-2-sulfanylacetamide has a molecular weight of 212.18 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-selanylpropan-2-yl)-2-sulfanylacetamide is sourced from PubChem (CID 159609375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).