3-[tert-butyl(methylsulfonyl)amino]-N-cyclopentylpropanamide

C13H26N2O3S — CID 113140775

IUPAC3-[tert-butyl(methylsulfonyl)amino]-N-cyclopentylpropanamide
SMILESCC(C)(C)N(CCC(=O)NC1CCCC1)S(C)(=O)=O
InChIInChI=1S/C13H26N2O3S/c1-13(2,3)15(19(4,17)18)10-9-12(16)14-11-7-5-6-8-11/h11H,5-10H2,1-4H3,(H,14,16)
InChIKeyYLDYRSHERKZYAA-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.50
Rot. Bonds5

About 3-[tert-butyl(methylsulfonyl)amino]-N-cyclopentylpropanamide

3-[tert-butyl(methylsulfonyl)amino]-N-cyclopentylpropanamide (PubChem CID 113140775) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 3-[tert-butyl(methylsulfonyl)amino]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name3-[tert-butyl(methylsulfonyl)amino]-N-cyclopentylpropanamide
PubChem CID113140775
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name3-[tert-butyl(methylsulfonyl)amino]-N-cyclopentylpropanamide
SMILESCC(C)(C)N(CCC(=O)NC1CCCC1)S(C)(=O)=O
InChIInChI=1S/C13H26N2O3S/c1-13(2,3)15(19(4,17)18)10-9-12(16)14-11-7-5-6-8-11/h11H,5-10H2,1-4H3,(H,14,16)
InChIKeyYLDYRSHERKZYAA-UHFFFAOYSA-N
XLogP1.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[tert-butyl(methylsulfonyl)amino]-N-cyclopentylpropanamide 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

3-[tert-butyl(methylsulfonyl)amino]-N-cycloheptylpropanamide
CID 113140842
1-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-3-cyclohexylurea
CID 113068057
2-[tert-butyl(methylsulfonyl)amino]-N-cyclopropylacetamide
CID 113152828
N-cyclohexyl-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136251
N-cycloheptyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
CID 113138370
3-[acetyl(cyclopentyl)amino]-N-cyclopentylpropanamide
CID 113116313
N-cyclopentyl-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
CID 113145276
3-(4-bromo-N-methylsulfonylanilino)-N-cyclopentylpropanamide
CID 113144427
N-cyclohexyl-3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]propanamide
CID 113140503
N-cyclopentyl-3-(dimethylsulfamoyl)propanamide
CID 110343266
N-cyclohexyl-3-(dipropylamino)propanamide
CID 109014002
N-cyclohexyl-3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide
CID 78964192

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(methylsulfonyl)amino]-N-cyclopentylpropanamide?
The IUPAC name of 3-[tert-butyl(methylsulfonyl)amino]-N-cyclopentylpropanamide (CID 113140775) is 3-[tert-butyl(methylsulfonyl)amino]-N-cyclopentylpropanamide.
What is the SMILES notation for 3-[tert-butyl(methylsulfonyl)amino]-N-cyclopentylpropanamide?
The canonical SMILES for 3-[tert-butyl(methylsulfonyl)amino]-N-cyclopentylpropanamide is CC(C)(C)N(CCC(=O)NC1CCCC1)S(C)(=O)=O.
What is the InChIKey of 3-[tert-butyl(methylsulfonyl)amino]-N-cyclopentylpropanamide?
The InChIKey is YLDYRSHERKZYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-13(2,3)15(19(4,17)18)10-9-12(16)14-11-7-5-6-8-11/h11H,5-10H2,1-4H3,(H,14,16).
What are the key properties of 3-[tert-butyl(methylsulfonyl)amino]-N-cyclopentylpropanamide?
3-[tert-butyl(methylsulfonyl)amino]-N-cyclopentylpropanamide has a molecular weight of 290.43 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(methylsulfonyl)amino]-N-cyclopentylpropanamide is sourced from PubChem (CID 113140775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).