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

C10H20N2O3S2 — CID 63920078

IUPAC2-cyclopropyl-2-(methylamino)-3-(2-methylsulfonylethylsulfanyl)propanamide
SMILESCNC(CSCCS(C)(=O)=O)(C(N)=O)C1CC1
InChIInChI=1S/C10H20N2O3S2/c1-12-10(9(11)13,8-3-4-8)7-16-5-6-17(2,14)15/h8,12H,3-7H2,1-2H3,(H2,11,13)
InChIKeyUCMQRMQDNRJBSC-UHFFFAOYSA-N
MW280.41 g/mol
LogP-0.38
Rot. Bonds8

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

2-cyclopropyl-2-(methylamino)-3-(2-methylsulfonylethylsulfanyl)propanamide (PubChem CID 63920078) has the molecular formula C10H20N2O3S2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methylamino)-3-(2-methylsulfonylethylsulfanyl)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(methylamino)-3-(2-methylsulfonylethylsulfanyl)propanamide
PubChem CID63920078
Molecular FormulaC10H20N2O3S2
Molecular Weight280.41 g/mol
Exact Mass280.09
IUPAC Name2-cyclopropyl-2-(methylamino)-3-(2-methylsulfonylethylsulfanyl)propanamide
SMILESCNC(CSCCS(C)(=O)=O)(C(N)=O)C1CC1
InChIInChI=1S/C10H20N2O3S2/c1-12-10(9(11)13,8-3-4-8)7-16-5-6-17(2,14)15/h8,12H,3-7H2,1-2H3,(H2,11,13)
InChIKeyUCMQRMQDNRJBSC-UHFFFAOYSA-N
XLogP-0.38
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(methylamino)-3-(2-methylsulfonylethylsulfanyl)propanamide?
The IUPAC name of 2-cyclopropyl-2-(methylamino)-3-(2-methylsulfonylethylsulfanyl)propanamide (CID 63920078) is 2-cyclopropyl-2-(methylamino)-3-(2-methylsulfonylethylsulfanyl)propanamide.
What is the SMILES notation for 2-cyclopropyl-2-(methylamino)-3-(2-methylsulfonylethylsulfanyl)propanamide?
The canonical SMILES for 2-cyclopropyl-2-(methylamino)-3-(2-methylsulfonylethylsulfanyl)propanamide is CNC(CSCCS(C)(=O)=O)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(methylamino)-3-(2-methylsulfonylethylsulfanyl)propanamide?
The InChIKey is UCMQRMQDNRJBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S2/c1-12-10(9(11)13,8-3-4-8)7-16-5-6-17(2,14)15/h8,12H,3-7H2,1-2H3,(H2,11,13).
What are the key properties of 2-cyclopropyl-2-(methylamino)-3-(2-methylsulfonylethylsulfanyl)propanamide?
2-cyclopropyl-2-(methylamino)-3-(2-methylsulfonylethylsulfanyl)propanamide has a molecular weight of 280.41 g/mol, XLogP of -0.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(methylamino)-3-(2-methylsulfonylethylsulfanyl)propanamide is sourced from PubChem (CID 63920078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).