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

C6H13NO3S — CID 123696026

IUPAC2-hydroxy-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide
SMILESCSCC(O)C(=O)NCCO
InChIInChI=1S/C6H13NO3S/c1-11-4-5(9)6(10)7-2-3-8/h5,8-9H,2-4H2,1H3,(H,7,10)
InChIKeyFUGVOUMMTUUFTB-UHFFFAOYSA-N
MW179.24 g/mol
LogP-1.18
Rot. Bonds5

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

2-hydroxy-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide (PubChem CID 123696026) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is 2-hydroxy-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide
PubChem CID123696026
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name2-hydroxy-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide
SMILESCSCC(O)C(=O)NCCO
InChIInChI=1S/C6H13NO3S/c1-11-4-5(9)6(10)7-2-3-8/h5,8-9H,2-4H2,1H3,(H,7,10)
InChIKeyFUGVOUMMTUUFTB-UHFFFAOYSA-N
XLogP-1.18
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide?
The IUPAC name of 2-hydroxy-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide (CID 123696026) is 2-hydroxy-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide.
What is the SMILES notation for 2-hydroxy-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide?
The canonical SMILES for 2-hydroxy-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide is CSCC(O)C(=O)NCCO.
What is the InChIKey of 2-hydroxy-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide?
The InChIKey is FUGVOUMMTUUFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-11-4-5(9)6(10)7-2-3-8/h5,8-9H,2-4H2,1H3,(H,7,10).
What are the key properties of 2-hydroxy-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide?
2-hydroxy-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide has a molecular weight of 179.24 g/mol, XLogP of -1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 123696026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).