2-hydroxy-N,N-bis(2-hydroxyethyl)-3-sulfanylpropanamide

C7H15NO4S — CID 86078184

IUPAC2-hydroxy-N,N-bis(2-hydroxyethyl)-3-sulfanylpropanamide
SMILESO=C(C(O)CS)N(CCO)CCO
InChIInChI=1S/C7H15NO4S/c9-3-1-8(2-4-10)7(12)6(11)5-13/h6,9-11,13H,1-5H2
InChIKeyQSVFZQHOYWORHN-UHFFFAOYSA-N
MW209.27 g/mol
LogP-1.91
Rot. Bonds6

About 2-hydroxy-N,N-bis(2-hydroxyethyl)-3-sulfanylpropanamide

2-hydroxy-N,N-bis(2-hydroxyethyl)-3-sulfanylpropanamide (PubChem CID 86078184) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-hydroxy-N,N-bis(2-hydroxyethyl)-3-sulfanylpropanamide.

Molecular Properties

Compound Name2-hydroxy-N,N-bis(2-hydroxyethyl)-3-sulfanylpropanamide
PubChem CID86078184
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name2-hydroxy-N,N-bis(2-hydroxyethyl)-3-sulfanylpropanamide
SMILESO=C(C(O)CS)N(CCO)CCO
InChIInChI=1S/C7H15NO4S/c9-3-1-8(2-4-10)7(12)6(11)5-13/h6,9-11,13H,1-5H2
InChIKeyQSVFZQHOYWORHN-UHFFFAOYSA-N
XLogP-1.91
TPSA81.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-1.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,N-bis(2-hydroxyethyl)-3-sulfanylpropanamide?
The IUPAC name of 2-hydroxy-N,N-bis(2-hydroxyethyl)-3-sulfanylpropanamide (CID 86078184) is 2-hydroxy-N,N-bis(2-hydroxyethyl)-3-sulfanylpropanamide.
What is the SMILES notation for 2-hydroxy-N,N-bis(2-hydroxyethyl)-3-sulfanylpropanamide?
The canonical SMILES for 2-hydroxy-N,N-bis(2-hydroxyethyl)-3-sulfanylpropanamide is O=C(C(O)CS)N(CCO)CCO.
What is the InChIKey of 2-hydroxy-N,N-bis(2-hydroxyethyl)-3-sulfanylpropanamide?
The InChIKey is QSVFZQHOYWORHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c9-3-1-8(2-4-10)7(12)6(11)5-13/h6,9-11,13H,1-5H2.
What are the key properties of 2-hydroxy-N,N-bis(2-hydroxyethyl)-3-sulfanylpropanamide?
2-hydroxy-N,N-bis(2-hydroxyethyl)-3-sulfanylpropanamide has a molecular weight of 209.27 g/mol, XLogP of -1.91, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,N-bis(2-hydroxyethyl)-3-sulfanylpropanamide is sourced from PubChem (CID 86078184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).