2-cyclopentyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]propanamide

C15H27NO3S — CID 110419542

IUPAC2-cyclopentyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]propanamide
SMILESCC(C(=O)NCCCC1CCS(=O)(=O)C1)C1CCCC1
InChIInChI=1S/C15H27NO3S/c1-12(14-6-2-3-7-14)15(17)16-9-4-5-13-8-10-20(18,19)11-13/h12-14H,2-11H2,1H3,(H,16,17)
InChIKeyJILXNNFIFFIDDT-UHFFFAOYSA-N
MW301.45 g/mol
LogP2.14
Rot. Bonds6

About 2-cyclopentyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]propanamide

2-cyclopentyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]propanamide (PubChem CID 110419542) has the molecular formula C15H27NO3S and a molecular weight of 301.45 g/mol. Its IUPAC name is 2-cyclopentyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]propanamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]propanamide
PubChem CID110419542
Molecular FormulaC15H27NO3S
Molecular Weight301.45 g/mol
Exact Mass301.17
IUPAC Name2-cyclopentyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]propanamide
SMILESCC(C(=O)NCCCC1CCS(=O)(=O)C1)C1CCCC1
InChIInChI=1S/C15H27NO3S/c1-12(14-6-2-3-7-14)15(17)16-9-4-5-13-8-10-20(18,19)11-13/h12-14H,2-11H2,1H3,(H,16,17)
InChIKeyJILXNNFIFFIDDT-UHFFFAOYSA-N
XLogP2.14
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-cyclopentylpropanamide
CID 173178636
N-[3-(1,1-dioxothiolan-3-yl)propyl]-3,3-dimethylbutanamide
CID 110602993
2-cyclopropyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-(4-fluorophenyl)acetamide
CID 110419539
3-(1,1-dioxothiolan-3-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine
CID 110610699
1-(3-cyclopentylpropyl)-3-[(1,1-dioxothiolan-3-yl)methyl]-2-methylguanidine;hydroiodide
CID 111946966
1-cyclohexyl-3-[2-(1,1-dioxothiolan-3-yl)ethyl]urea
CID 110748171
1-(3-cyclopentylpropyl)-3-(1,1-dioxothiolan-3-yl)-2-methylguanidine;hydroiodide
CID 111141908
N-[3-(1,1-dioxothiolan-3-yl)propyl]pyridine-4-carboxamide
CID 110418925
methyl N-[2-(1,1-dioxothiolan-3-yl)ethyl]carbamate
CID 110722962
2-cyclopropyl-N-(3-hydroxypropyl)propanamide
CID 81449535
N-cyclopropyl-2-[(1,1-dioxothiolan-3-yl)methylamino]propanamide
CID 54914819
2-(1,1-dioxothiolan-3-yl)-N-(4-hydroxypentyl)acetamide
CID 107299589

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]propanamide?
The IUPAC name of 2-cyclopentyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]propanamide (CID 110419542) is 2-cyclopentyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]propanamide.
What is the SMILES notation for 2-cyclopentyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]propanamide?
The canonical SMILES for 2-cyclopentyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]propanamide is CC(C(=O)NCCCC1CCS(=O)(=O)C1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]propanamide?
The InChIKey is JILXNNFIFFIDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3S/c1-12(14-6-2-3-7-14)15(17)16-9-4-5-13-8-10-20(18,19)11-13/h12-14H,2-11H2,1H3,(H,16,17).
What are the key properties of 2-cyclopentyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]propanamide?
2-cyclopentyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]propanamide has a molecular weight of 301.45 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]propanamide is sourced from PubChem (CID 110419542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).