N-ethyl-N-(2-hydroxyethyl)-2-oxo-3-sulfanylpropanamide

C7H13NO3S — CID 86081926

IUPACN-ethyl-N-(2-hydroxyethyl)-2-oxo-3-sulfanylpropanamide
SMILESCCN(CCO)C(=O)C(=O)CS
InChIInChI=1S/C7H13NO3S/c1-2-8(3-4-9)7(11)6(10)5-12/h9,12H,2-5H2,1H3
InChIKeyNNPNMRRMERMEMB-UHFFFAOYSA-N
MW191.25 g/mol
LogP-0.67
Rot. Bonds5

About N-ethyl-N-(2-hydroxyethyl)-2-oxo-3-sulfanylpropanamide

N-ethyl-N-(2-hydroxyethyl)-2-oxo-3-sulfanylpropanamide (PubChem CID 86081926) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-2-oxo-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-2-oxo-3-sulfanylpropanamide
PubChem CID86081926
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-2-oxo-3-sulfanylpropanamide
SMILESCCN(CCO)C(=O)C(=O)CS
InChIInChI=1S/C7H13NO3S/c1-2-8(3-4-9)7(11)6(10)5-12/h9,12H,2-5H2,1H3
InChIKeyNNPNMRRMERMEMB-UHFFFAOYSA-N
XLogP-0.67
TPSA57.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-2-oxo-3-sulfanylpropanamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-2-oxo-3-sulfanylpropanamide (CID 86081926) is N-ethyl-N-(2-hydroxyethyl)-2-oxo-3-sulfanylpropanamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-2-oxo-3-sulfanylpropanamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-2-oxo-3-sulfanylpropanamide is CCN(CCO)C(=O)C(=O)CS.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-2-oxo-3-sulfanylpropanamide?
The InChIKey is NNPNMRRMERMEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3S/c1-2-8(3-4-9)7(11)6(10)5-12/h9,12H,2-5H2,1H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-2-oxo-3-sulfanylpropanamide?
N-ethyl-N-(2-hydroxyethyl)-2-oxo-3-sulfanylpropanamide has a molecular weight of 191.25 g/mol, XLogP of -0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-2-oxo-3-sulfanylpropanamide is sourced from PubChem (CID 86081926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).