2-acetamido-N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-sulfanylpropanamide

C10H20N2O4S — CID 107769331

IUPAC2-acetamido-N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-sulfanylpropanamide
SMILESCOCC(O)CN(C)C(=O)C(CS)NC(C)=O
InChIInChI=1S/C10H20N2O4S/c1-7(13)11-9(6-17)10(15)12(2)4-8(14)5-16-3/h8-9,14,17H,4-6H2,1-3H3,(H,11,13)
InChIKeyYHYNUZARBLOMKH-UHFFFAOYSA-N
MW264.35 g/mol
LogP-1.11
Rot. Bonds7

About 2-acetamido-N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-sulfanylpropanamide

2-acetamido-N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-sulfanylpropanamide (PubChem CID 107769331) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-acetamido-N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-sulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-sulfanylpropanamide
PubChem CID107769331
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name2-acetamido-N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-sulfanylpropanamide
SMILESCOCC(O)CN(C)C(=O)C(CS)NC(C)=O
InChIInChI=1S/C10H20N2O4S/c1-7(13)11-9(6-17)10(15)12(2)4-8(14)5-16-3/h8-9,14,17H,4-6H2,1-3H3,(H,11,13)
InChIKeyYHYNUZARBLOMKH-UHFFFAOYSA-N
XLogP-1.11
TPSA78.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-3-methoxypropyl)-N-methylbut-2-ynamide
CID 106741532
2-amino-N-(2-hydroxy-3-methoxypropyl)-3-methoxy-N-methylpropanamide
CID 81089598
3-amino-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-4-oxobutanoic acid
CID 64895957
3,3,3-trifluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(trifluoromethyl)propanamide
CID 103310159
2-amino-N-(2-hydroxy-3-methoxypropyl)-N,3,3-trimethylbutanamide
CID 76911278
2-acetamido-N-(1-methoxypropan-2-yl)-3-sulfanylpropanamide
CID 107768933
2-acetamido-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide
CID 107769716
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-acetamido-3-sulfanylpropanoate
CID 107770080
3-methoxypropyl (2R)-2-acetamido-3-sulfanylpropanoate
CID 107775731
2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid
CID 81085623
N-(2-hydroxy-3-methoxypropyl)-2-methoxy-N,2-dimethylpropanamide
CID 103747204
ethane;N-[(2R)-3-oxo-1-sulfanylbutan-2-yl]acetamide
CID 144564571

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-sulfanylpropanamide?
The IUPAC name of 2-acetamido-N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-sulfanylpropanamide (CID 107769331) is 2-acetamido-N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-sulfanylpropanamide.
What is the SMILES notation for 2-acetamido-N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-sulfanylpropanamide?
The canonical SMILES for 2-acetamido-N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-sulfanylpropanamide is COCC(O)CN(C)C(=O)C(CS)NC(C)=O.
What is the InChIKey of 2-acetamido-N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-sulfanylpropanamide?
The InChIKey is YHYNUZARBLOMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-7(13)11-9(6-17)10(15)12(2)4-8(14)5-16-3/h8-9,14,17H,4-6H2,1-3H3,(H,11,13).
What are the key properties of 2-acetamido-N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-sulfanylpropanamide?
2-acetamido-N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-sulfanylpropanamide has a molecular weight of 264.35 g/mol, XLogP of -1.11, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-sulfanylpropanamide is sourced from PubChem (CID 107769331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).