N-(3-hydroxypropyl)-3-methylsulfanylpropanamide

C7H15NO2S — CID 43418169

IUPACN-(3-hydroxypropyl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCCCO
InChIInChI=1S/C7H15NO2S/c1-11-6-3-7(10)8-4-2-5-9/h9H,2-6H2,1H3,(H,8,10)
InChIKeyHXINLPUDQGWXHE-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.24
Rot. Bonds6

About N-(3-hydroxypropyl)-3-methylsulfanylpropanamide

N-(3-hydroxypropyl)-3-methylsulfanylpropanamide (PubChem CID 43418169) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-3-methylsulfanylpropanamide
PubChem CID43418169
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC NameN-(3-hydroxypropyl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCCCO
InChIInChI=1S/C7H15NO2S/c1-11-6-3-7(10)8-4-2-5-9/h9H,2-6H2,1H3,(H,8,10)
InChIKeyHXINLPUDQGWXHE-UHFFFAOYSA-N
XLogP0.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-3-methylsulfanylpropanamide?
The IUPAC name of N-(3-hydroxypropyl)-3-methylsulfanylpropanamide (CID 43418169) is N-(3-hydroxypropyl)-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(3-hydroxypropyl)-3-methylsulfanylpropanamide?
The canonical SMILES for N-(3-hydroxypropyl)-3-methylsulfanylpropanamide is CSCCC(=O)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)-3-methylsulfanylpropanamide?
The InChIKey is HXINLPUDQGWXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-11-6-3-7(10)8-4-2-5-9/h9H,2-6H2,1H3,(H,8,10).
What are the key properties of N-(3-hydroxypropyl)-3-methylsulfanylpropanamide?
N-(3-hydroxypropyl)-3-methylsulfanylpropanamide has a molecular weight of 177.27 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 43418169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).