2-butylsulfanyl-N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)propanamide

C15H28N2OS — CID 71853777

IUPAC2-butylsulfanyl-N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)propanamide
SMILESCCCCSC(C)C(=O)NC1CN(C2CC2)CC1C
InChIInChI=1S/C15H28N2OS/c1-4-5-8-19-12(3)15(18)16-14-10-17(9-11(14)2)13-6-7-13/h11-14H,4-10H2,1-3H3,(H,16,18)
InChIKeyAYCSBRRAJSYVPB-UHFFFAOYSA-N
MW284.47 g/mol
LogP2.51
Rot. Bonds7

About 2-butylsulfanyl-N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)propanamide

2-butylsulfanyl-N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)propanamide (PubChem CID 71853777) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is 2-butylsulfanyl-N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name2-butylsulfanyl-N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)propanamide
PubChem CID71853777
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC Name2-butylsulfanyl-N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)propanamide
SMILESCCCCSC(C)C(=O)NC1CN(C2CC2)CC1C
InChIInChI=1S/C15H28N2OS/c1-4-5-8-19-12(3)15(18)16-14-10-17(9-11(14)2)13-6-7-13/h11-14H,4-10H2,1-3H3,(H,16,18)
InChIKeyAYCSBRRAJSYVPB-UHFFFAOYSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-butylsulfanyl-N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)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-butylsulfanyl-N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)propanamide?
The IUPAC name of 2-butylsulfanyl-N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)propanamide (CID 71853777) is 2-butylsulfanyl-N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)propanamide.
What is the SMILES notation for 2-butylsulfanyl-N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)propanamide?
The canonical SMILES for 2-butylsulfanyl-N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)propanamide is CCCCSC(C)C(=O)NC1CN(C2CC2)CC1C.
What is the InChIKey of 2-butylsulfanyl-N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)propanamide?
The InChIKey is AYCSBRRAJSYVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-4-5-8-19-12(3)15(18)16-14-10-17(9-11(14)2)13-6-7-13/h11-14H,4-10H2,1-3H3,(H,16,18).
What are the key properties of 2-butylsulfanyl-N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)propanamide?
2-butylsulfanyl-N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)propanamide has a molecular weight of 284.47 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)propanamide is sourced from PubChem (CID 71853777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).