3-[(2-hydroxyacetyl)amino]-N-(2-sulfanylethyl)propanamide;2-methylpropan-1-ol

C11H24N2O4S — CID 16741218

IUPAC3-[(2-hydroxyacetyl)amino]-N-(2-sulfanylethyl)propanamide;2-methylpropan-1-ol
SMILESCC(C)CO.O=C(CO)NCCC(=O)NCCS
InChIInChI=1S/C7H14N2O3S.C4H10O/c10-5-7(12)8-2-1-6(11)9-3-4-13;1-4(2)3-5/h10,13H,1-5H2,(H,8,12)(H,9,11);4-5H,3H2,1-2H3
InChIKeyWGEXKVVNGUSGOQ-UHFFFAOYSA-N
MW280.39 g/mol
LogP-0.83
Rot. Bonds7

About 3-[(2-hydroxyacetyl)amino]-N-(2-sulfanylethyl)propanamide;2-methylpropan-1-ol

3-[(2-hydroxyacetyl)amino]-N-(2-sulfanylethyl)propanamide;2-methylpropan-1-ol (PubChem CID 16741218) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-[(2-hydroxyacetyl)amino]-N-(2-sulfanylethyl)propanamide;2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(2-hydroxyacetyl)amino]-N-(2-sulfanylethyl)propanamide;2-methylpropan-1-ol
PubChem CID16741218
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Name3-[(2-hydroxyacetyl)amino]-N-(2-sulfanylethyl)propanamide;2-methylpropan-1-ol
SMILESCC(C)CO.O=C(CO)NCCC(=O)NCCS
InChIInChI=1S/C7H14N2O3S.C4H10O/c10-5-7(12)8-2-1-6(11)9-3-4-13;1-4(2)3-5/h10,13H,1-5H2,(H,8,12)(H,9,11);4-5H,3H2,1-2H3
InChIKeyWGEXKVVNGUSGOQ-UHFFFAOYSA-N
XLogP-0.83
TPSA98.66 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 5-0.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Dithiodiethyl bis-lactamide
CID 9860990
(2R)-2-hydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide
CID 42626551
S-[2-[3-[(2-hydroxyacetyl)amino]propanoylamino]ethyl] ethanethioate
CID 45254003
3-[(2-hydroxyacetyl)amino]-N-(2-sulfanylethyl)propanamide
CID 16741219
N-(2-hydroxyethyl)-3-(2-sulfanylethylamino)propanamide
CID 23177227
3-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-sulfanylpropanamide
CID 57269032
N'-[3-[[3-amino-3-oxo-2-(sulfanylmethyl)propanoyl]amino]-2-hydroxypropyl]-2-(sulfanylmethyl)propanediamide
CID 87760592
N-[2-hydroxy-3-[[3-(methylamino)-3-oxo-2-(sulfanylmethyl)propanoyl]amino]propyl]-N'-methyl-2-(sulfanylmethyl)propanediamide
CID 87760732
N-ethyl-N'-[3-[[3-(ethylamino)-3-oxo-2-(sulfanylmethyl)propanoyl]amino]-2-hydroxypropyl]-2-(sulfanylmethyl)propanediamide
CID 87760934
N'-[3-[[3-(dimethylamino)-3-oxo-2-(sulfanylmethyl)propanoyl]amino]-2-hydroxypropyl]-N,N-dimethyl-2-(sulfanylmethyl)propanediamide
CID 87761146
N-(2-hydroxyethyl)-3-[2-[2-[[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethyldisulfanyl]ethylamino]propanamide
CID 88426118
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-[3-(methyldisulfanyl)propylamino]propanamide
CID 132226045

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxyacetyl)amino]-N-(2-sulfanylethyl)propanamide;2-methylpropan-1-ol?
The IUPAC name of 3-[(2-hydroxyacetyl)amino]-N-(2-sulfanylethyl)propanamide;2-methylpropan-1-ol (CID 16741218) is 3-[(2-hydroxyacetyl)amino]-N-(2-sulfanylethyl)propanamide;2-methylpropan-1-ol.
What is the SMILES notation for 3-[(2-hydroxyacetyl)amino]-N-(2-sulfanylethyl)propanamide;2-methylpropan-1-ol?
The canonical SMILES for 3-[(2-hydroxyacetyl)amino]-N-(2-sulfanylethyl)propanamide;2-methylpropan-1-ol is CC(C)CO.O=C(CO)NCCC(=O)NCCS.
What is the InChIKey of 3-[(2-hydroxyacetyl)amino]-N-(2-sulfanylethyl)propanamide;2-methylpropan-1-ol?
The InChIKey is WGEXKVVNGUSGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S.C4H10O/c10-5-7(12)8-2-1-6(11)9-3-4-13;1-4(2)3-5/h10,13H,1-5H2,(H,8,12)(H,9,11);4-5H,3H2,1-2H3.
What are the key properties of 3-[(2-hydroxyacetyl)amino]-N-(2-sulfanylethyl)propanamide;2-methylpropan-1-ol?
3-[(2-hydroxyacetyl)amino]-N-(2-sulfanylethyl)propanamide;2-methylpropan-1-ol has a molecular weight of 280.39 g/mol, XLogP of -0.83, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxyacetyl)amino]-N-(2-sulfanylethyl)propanamide;2-methylpropan-1-ol is sourced from PubChem (CID 16741218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).