2-hydroxy-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide

C7H15NO3S — CID 123895603

IUPAC2-hydroxy-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide
SMILESCSCC(O)C(=O)NCCCO
InChIInChI=1S/C7H15NO3S/c1-12-5-6(10)7(11)8-3-2-4-9/h6,9-10H,2-5H2,1H3,(H,8,11)
InChIKeyXLXDCRQVCURBRI-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.79
Rot. Bonds6

About 2-hydroxy-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide

2-hydroxy-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide (PubChem CID 123895603) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-hydroxy-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound Name2-hydroxy-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide
PubChem CID123895603
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name2-hydroxy-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide
SMILESCSCC(O)C(=O)NCCCO
InChIInChI=1S/C7H15NO3S/c1-12-5-6(10)7(11)8-3-2-4-9/h6,9-10H,2-5H2,1H3,(H,8,11)
InChIKeyXLXDCRQVCURBRI-UHFFFAOYSA-N
XLogP-0.79
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide?
The IUPAC name of 2-hydroxy-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide (CID 123895603) is 2-hydroxy-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide.
What is the SMILES notation for 2-hydroxy-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide?
The canonical SMILES for 2-hydroxy-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide is CSCC(O)C(=O)NCCCO.
What is the InChIKey of 2-hydroxy-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide?
The InChIKey is XLXDCRQVCURBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-12-5-6(10)7(11)8-3-2-4-9/h6,9-10H,2-5H2,1H3,(H,8,11).
What are the key properties of 2-hydroxy-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide?
2-hydroxy-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide has a molecular weight of 193.27 g/mol, XLogP of -0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(3-hydroxypropyl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 123895603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).