N-(2-methoxypropyl)-2-sulfanylpropanamide

C7H15NO2S — CID 107036659

IUPACN-(2-methoxypropyl)-2-sulfanylpropanamide
SMILESCOC(C)CNC(=O)C(C)S
InChIInChI=1S/C7H15NO2S/c1-5(10-3)4-8-7(9)6(2)11/h5-6,11H,4H2,1-3H3,(H,8,9)
InChIKeyZLPDKUUGMLGENG-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.46
Rot. Bonds4

About N-(2-methoxypropyl)-2-sulfanylpropanamide

N-(2-methoxypropyl)-2-sulfanylpropanamide (PubChem CID 107036659) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is N-(2-methoxypropyl)-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-methoxypropyl)-2-sulfanylpropanamide
PubChem CID107036659
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC NameN-(2-methoxypropyl)-2-sulfanylpropanamide
SMILESCOC(C)CNC(=O)C(C)S
InChIInChI=1S/C7H15NO2S/c1-5(10-3)4-8-7(9)6(2)11/h5-6,11H,4H2,1-3H3,(H,8,9)
InChIKeyZLPDKUUGMLGENG-UHFFFAOYSA-N
XLogP0.46
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxypropyl)acetamide
CID 90876780
N-(2-methoxypropyl)-2-oxopropanamide
CID 20671651
2-amino-4-methoxy-N-(2-methoxypropyl)butanamide
CID 102695104
2-amino-N-(2-methoxypropyl)pent-4-ynamide
CID 102694961
2-carbamothioyl-N-(2-methoxypropyl)butanamide
CID 102698233
2-(2-sulfanylpropanoylamino)ethyl carbamate
CID 107034140
2-amino-N-(2-methoxypropyl)-4-methylsulfonylbutanamide
CID 102694855
3-amino-N-(2-methoxypropyl)butanamide
CID 102695030
2-(2-sulfanylpropanoylamino)acetic acid
CID 5483
2-ethoxy-N-(2-methoxypropyl)acetamide
CID 102701044
4-amino-N-(2-methoxypropyl)pentanamide
CID 102694842
2-(2-methoxypropylamino)-N-prop-2-enylpropanamide
CID 102697960

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-2-sulfanylpropanamide?
The IUPAC name of N-(2-methoxypropyl)-2-sulfanylpropanamide (CID 107036659) is N-(2-methoxypropyl)-2-sulfanylpropanamide.
What is the SMILES notation for N-(2-methoxypropyl)-2-sulfanylpropanamide?
The canonical SMILES for N-(2-methoxypropyl)-2-sulfanylpropanamide is COC(C)CNC(=O)C(C)S.
What is the InChIKey of N-(2-methoxypropyl)-2-sulfanylpropanamide?
The InChIKey is ZLPDKUUGMLGENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-5(10-3)4-8-7(9)6(2)11/h5-6,11H,4H2,1-3H3,(H,8,9).
What are the key properties of N-(2-methoxypropyl)-2-sulfanylpropanamide?
N-(2-methoxypropyl)-2-sulfanylpropanamide has a molecular weight of 177.27 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-2-sulfanylpropanamide is sourced from PubChem (CID 107036659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).