N-(2-hydroxyethyl)-3-sulfanylpropanamide

C5H11NO2S — CID 19695612

IUPACN-(2-hydroxyethyl)-3-sulfanylpropanamide
SMILESO=C(CCS)NCCO
InChIInChI=1S/C5H11NO2S/c7-3-2-6-5(8)1-4-9/h7,9H,1-4H2,(H,6,8)
InChIKeyYCKSURNCAWGMFV-UHFFFAOYSA-N
MW149.21 g/mol
LogP-0.59
Rot. Bonds4

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

N-(2-hydroxyethyl)-3-sulfanylpropanamide (PubChem CID 19695612) has the molecular formula C5H11NO2S and a molecular weight of 149.21 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-sulfanylpropanamide
PubChem CID19695612
Molecular FormulaC5H11NO2S
Molecular Weight149.21 g/mol
Exact Mass149.05
IUPAC NameN-(2-hydroxyethyl)-3-sulfanylpropanamide
SMILESO=C(CCS)NCCO
InChIInChI=1S/C5H11NO2S/c7-3-2-6-5(8)1-4-9/h7,9H,1-4H2,(H,6,8)
InChIKeyYCKSURNCAWGMFV-UHFFFAOYSA-N
XLogP-0.59
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 N-(2-hydroxyethyl)-3-sulfanylpropanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-sulfanylpropanamide (CID 19695612) is N-(2-hydroxyethyl)-3-sulfanylpropanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-sulfanylpropanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-sulfanylpropanamide is O=C(CCS)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-3-sulfanylpropanamide?
The InChIKey is YCKSURNCAWGMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c7-3-2-6-5(8)1-4-9/h7,9H,1-4H2,(H,6,8).
What are the key properties of N-(2-hydroxyethyl)-3-sulfanylpropanamide?
N-(2-hydroxyethyl)-3-sulfanylpropanamide has a molecular weight of 149.21 g/mol, XLogP of -0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-sulfanylpropanamide is sourced from PubChem (CID 19695612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).