N-(2-propoxyethyl)-3-sulfanylpropanamide

C8H17NO2S — CID 2734193

IUPACN-(2-propoxyethyl)-3-sulfanylpropanamide
SMILESCCCOCCNC(=O)CCS
InChIInChI=1S/C8H17NO2S/c1-2-5-11-6-4-9-8(10)3-7-12/h12H,2-7H2,1H3,(H,9,10)
InChIKeyNKIOVWSQHPXQDH-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.85
Rot. Bonds7

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

N-(2-propoxyethyl)-3-sulfanylpropanamide (PubChem CID 2734193) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-(2-propoxyethyl)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-propoxyethyl)-3-sulfanylpropanamide
PubChem CID2734193
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-(2-propoxyethyl)-3-sulfanylpropanamide
SMILESCCCOCCNC(=O)CCS
InChIInChI=1S/C8H17NO2S/c1-2-5-11-6-4-9-8(10)3-7-12/h12H,2-7H2,1H3,(H,9,10)
InChIKeyNKIOVWSQHPXQDH-UHFFFAOYSA-N
XLogP0.85
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-propoxyethyl)-3-sulfanylpropanamide?
The IUPAC name of N-(2-propoxyethyl)-3-sulfanylpropanamide (CID 2734193) is N-(2-propoxyethyl)-3-sulfanylpropanamide.
What is the SMILES notation for N-(2-propoxyethyl)-3-sulfanylpropanamide?
The canonical SMILES for N-(2-propoxyethyl)-3-sulfanylpropanamide is CCCOCCNC(=O)CCS.
What is the InChIKey of N-(2-propoxyethyl)-3-sulfanylpropanamide?
The InChIKey is NKIOVWSQHPXQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-2-5-11-6-4-9-8(10)3-7-12/h12H,2-7H2,1H3,(H,9,10).
What are the key properties of N-(2-propoxyethyl)-3-sulfanylpropanamide?
N-(2-propoxyethyl)-3-sulfanylpropanamide has a molecular weight of 191.30 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propoxyethyl)-3-sulfanylpropanamide is sourced from PubChem (CID 2734193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).