2-cyclopropyl-3-(2-methoxyethylsulfanyl)-2-(propan-2-ylamino)propanamide

C12H24N2O2S — CID 63918417

IUPAC2-cyclopropyl-3-(2-methoxyethylsulfanyl)-2-(propan-2-ylamino)propanamide
SMILESCOCCSCC(NC(C)C)(C(N)=O)C1CC1
InChIInChI=1S/C12H24N2O2S/c1-9(2)14-12(11(13)15,10-4-5-10)8-17-7-6-16-3/h9-10,14H,4-8H2,1-3H3,(H2,13,15)
InChIKeyOPVSSISYYZWVMA-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.00
Rot. Bonds9

About 2-cyclopropyl-3-(2-methoxyethylsulfanyl)-2-(propan-2-ylamino)propanamide

2-cyclopropyl-3-(2-methoxyethylsulfanyl)-2-(propan-2-ylamino)propanamide (PubChem CID 63918417) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-methoxyethylsulfanyl)-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-methoxyethylsulfanyl)-2-(propan-2-ylamino)propanamide
PubChem CID63918417
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name2-cyclopropyl-3-(2-methoxyethylsulfanyl)-2-(propan-2-ylamino)propanamide
SMILESCOCCSCC(NC(C)C)(C(N)=O)C1CC1
InChIInChI=1S/C12H24N2O2S/c1-9(2)14-12(11(13)15,10-4-5-10)8-17-7-6-16-3/h9-10,14H,4-8H2,1-3H3,(H2,13,15)
InChIKeyOPVSSISYYZWVMA-UHFFFAOYSA-N
XLogP1.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-3-(2-methoxyethoxy)-2-(propan-2-ylamino)propanamide
CID 63919567
2-cyclopropyl-3-(3-hydroxy-2-methylpropyl)sulfanyl-2-(propan-2-ylamino)propanamide
CID 66103202
2-cyclopropyl-3-(2,3-dihydroxypropylsulfanyl)-2-(propan-2-ylamino)propanamide
CID 79670744
2-cyclopropyl-2-(cyclopropylamino)-3-(2-methoxyethylsulfanyl)propanoic acid
CID 63915892
ethyl 2-cyclopropyl-2-(ethylamino)-3-(2-methoxyethylsulfanyl)propanoate
CID 63915893
2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propan-2-ylamino)propanamide
CID 63918574
2-cyclopropyl-3-phenylsulfanyl-2-(propan-2-ylamino)propanamide
CID 63916309
2-cyclopropyl-2-(propan-2-ylamino)-3-pyrimidin-2-ylsulfanylpropanamide
CID 63918441
3-(3-methoxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)propanamide
CID 63855423
2-cyclopropyl-3-octoxy-2-(propan-2-ylamino)propanamide
CID 63918759
2-cyclopropyl-3-(3-hydroxypropylsulfanyl)-2-(methylamino)propanamide
CID 66128112
ethyl 2-cyclopropyl-3-(2-methylpropylsulfanyl)-2-(propan-2-ylamino)propanoate
CID 63916082

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-methoxyethylsulfanyl)-2-(propan-2-ylamino)propanamide?
The IUPAC name of 2-cyclopropyl-3-(2-methoxyethylsulfanyl)-2-(propan-2-ylamino)propanamide (CID 63918417) is 2-cyclopropyl-3-(2-methoxyethylsulfanyl)-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for 2-cyclopropyl-3-(2-methoxyethylsulfanyl)-2-(propan-2-ylamino)propanamide?
The canonical SMILES for 2-cyclopropyl-3-(2-methoxyethylsulfanyl)-2-(propan-2-ylamino)propanamide is COCCSCC(NC(C)C)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2-methoxyethylsulfanyl)-2-(propan-2-ylamino)propanamide?
The InChIKey is OPVSSISYYZWVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-9(2)14-12(11(13)15,10-4-5-10)8-17-7-6-16-3/h9-10,14H,4-8H2,1-3H3,(H2,13,15).
What are the key properties of 2-cyclopropyl-3-(2-methoxyethylsulfanyl)-2-(propan-2-ylamino)propanamide?
2-cyclopropyl-3-(2-methoxyethylsulfanyl)-2-(propan-2-ylamino)propanamide has a molecular weight of 260.40 g/mol, XLogP of 1.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-methoxyethylsulfanyl)-2-(propan-2-ylamino)propanamide is sourced from PubChem (CID 63918417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).