2-cyclopentylsulfanyl-N-[4-(dimethylamino)but-2-ynyl]acetamide

C13H22N2OS — CID 71792388

IUPAC2-cyclopentylsulfanyl-N-[4-(dimethylamino)but-2-ynyl]acetamide
SMILESCN(C)CC#CCNC(=O)CSC1CCCC1
InChIInChI=1S/C13H22N2OS/c1-15(2)10-6-5-9-14-13(16)11-17-12-7-3-4-8-12/h12H,3-4,7-11H2,1-2H3,(H,14,16)
InChIKeySFBDPWOOVDARON-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.34
Rot. Bonds5

About 2-cyclopentylsulfanyl-N-[4-(dimethylamino)but-2-ynyl]acetamide

2-cyclopentylsulfanyl-N-[4-(dimethylamino)but-2-ynyl]acetamide (PubChem CID 71792388) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[4-(dimethylamino)but-2-ynyl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[4-(dimethylamino)but-2-ynyl]acetamide
PubChem CID71792388
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name2-cyclopentylsulfanyl-N-[4-(dimethylamino)but-2-ynyl]acetamide
SMILESCN(C)CC#CCNC(=O)CSC1CCCC1
InChIInChI=1S/C13H22N2OS/c1-15(2)10-6-5-9-14-13(16)11-17-12-7-3-4-8-12/h12H,3-4,7-11H2,1-2H3,(H,14,16)
InChIKeySFBDPWOOVDARON-UHFFFAOYSA-N
XLogP1.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyclopentylsulfanyl-N-[4-(dimethylamino)but-2-ynyl]acetamide 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-cyclopentylsulfanyl-N-[4-(dimethylamino)but-2-ynyl]acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[4-(dimethylamino)but-2-ynyl]acetamide (CID 71792388) is 2-cyclopentylsulfanyl-N-[4-(dimethylamino)but-2-ynyl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[4-(dimethylamino)but-2-ynyl]acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[4-(dimethylamino)but-2-ynyl]acetamide is CN(C)CC#CCNC(=O)CSC1CCCC1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[4-(dimethylamino)but-2-ynyl]acetamide?
The InChIKey is SFBDPWOOVDARON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-15(2)10-6-5-9-14-13(16)11-17-12-7-3-4-8-12/h12H,3-4,7-11H2,1-2H3,(H,14,16).
What are the key properties of 2-cyclopentylsulfanyl-N-[4-(dimethylamino)but-2-ynyl]acetamide?
2-cyclopentylsulfanyl-N-[4-(dimethylamino)but-2-ynyl]acetamide has a molecular weight of 254.40 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[4-(dimethylamino)but-2-ynyl]acetamide is sourced from PubChem (CID 71792388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).