2-cyclopropyl-3-(2-methylsulfonylethylsulfanyl)-2-(propylamino)propanamide

C12H24N2O3S2 — CID 63920473

IUPAC2-cyclopropyl-3-(2-methylsulfonylethylsulfanyl)-2-(propylamino)propanamide
SMILESCCCNC(CSCCS(C)(=O)=O)(C(N)=O)C1CC1
InChIInChI=1S/C12H24N2O3S2/c1-3-6-14-12(11(13)15,10-4-5-10)9-18-7-8-19(2,16)17/h10,14H,3-9H2,1-2H3,(H2,13,15)
InChIKeyCYBIYMUZXQTOKM-UHFFFAOYSA-N
MW308.47 g/mol
LogP0.40
Rot. Bonds10

About 2-cyclopropyl-3-(2-methylsulfonylethylsulfanyl)-2-(propylamino)propanamide

2-cyclopropyl-3-(2-methylsulfonylethylsulfanyl)-2-(propylamino)propanamide (PubChem CID 63920473) has the molecular formula C12H24N2O3S2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-methylsulfonylethylsulfanyl)-2-(propylamino)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-methylsulfonylethylsulfanyl)-2-(propylamino)propanamide
PubChem CID63920473
Molecular FormulaC12H24N2O3S2
Molecular Weight308.47 g/mol
Exact Mass308.12
IUPAC Name2-cyclopropyl-3-(2-methylsulfonylethylsulfanyl)-2-(propylamino)propanamide
SMILESCCCNC(CSCCS(C)(=O)=O)(C(N)=O)C1CC1
InChIInChI=1S/C12H24N2O3S2/c1-3-6-14-12(11(13)15,10-4-5-10)9-18-7-8-19(2,16)17/h10,14H,3-9H2,1-2H3,(H2,13,15)
InChIKeyCYBIYMUZXQTOKM-UHFFFAOYSA-N
XLogP0.40
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-3-(2-methylsulfonylethylsulfanyl)-2-(propylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-cyclopropyl-3-(2-methylsulfonylethylsulfanyl)-2-(propylamino)propanoate
CID 63919881
2-cyclopropyl-2-(methylamino)-3-(2-methylsulfonylethylsulfanyl)propanamide
CID 63920078
2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanamide
CID 63921417
2-cyclopropyl-3-[2-(ethylamino)-2-oxoethyl]sulfanyl-2-(propylamino)propanamide
CID 114234379
3-butylsulfanyl-2-cyclopropyl-2-(ethylamino)propanamide
CID 63918024
3-butan-2-ylsulfanyl-2-cyclopropyl-2-(propylamino)propanamide
CID 63916489
ethyl 2-methyl-3-(2-methylsulfonylethylsulfanyl)-2-(propylamino)propanoate
CID 63658515
2-cyclopropyl-3-[methyl(propan-2-yl)amino]-2-(propylamino)propanamide
CID 63907693
2-cyclopropyl-2-(methylamino)-3-pentylsulfanylpropanamide
CID 107755622
2-cyclopropyl-3-(2-methylfuran-3-yl)sulfanyl-2-(propylamino)propanamide
CID 107782042
2-cyclopropyl-3-[2,2-dimethylpropyl(methyl)amino]-2-(propylamino)propanamide
CID 63909203
methyl 2-cyclopropyl-3-(3-methoxypropylsulfanyl)-2-(propylamino)propanoate
CID 63921066

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-methylsulfonylethylsulfanyl)-2-(propylamino)propanamide?
The IUPAC name of 2-cyclopropyl-3-(2-methylsulfonylethylsulfanyl)-2-(propylamino)propanamide (CID 63920473) is 2-cyclopropyl-3-(2-methylsulfonylethylsulfanyl)-2-(propylamino)propanamide.
What is the SMILES notation for 2-cyclopropyl-3-(2-methylsulfonylethylsulfanyl)-2-(propylamino)propanamide?
The canonical SMILES for 2-cyclopropyl-3-(2-methylsulfonylethylsulfanyl)-2-(propylamino)propanamide is CCCNC(CSCCS(C)(=O)=O)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2-methylsulfonylethylsulfanyl)-2-(propylamino)propanamide?
The InChIKey is CYBIYMUZXQTOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S2/c1-3-6-14-12(11(13)15,10-4-5-10)9-18-7-8-19(2,16)17/h10,14H,3-9H2,1-2H3,(H2,13,15).
What are the key properties of 2-cyclopropyl-3-(2-methylsulfonylethylsulfanyl)-2-(propylamino)propanamide?
2-cyclopropyl-3-(2-methylsulfonylethylsulfanyl)-2-(propylamino)propanamide has a molecular weight of 308.47 g/mol, XLogP of 0.40, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-methylsulfonylethylsulfanyl)-2-(propylamino)propanamide is sourced from PubChem (CID 63920473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).