2-[(1S)-cyclopent-2-en-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-propylacetamide

C14H23NO3S — CID 52556128

IUPAC2-[(1S)-cyclopent-2-en-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-propylacetamide
SMILESCCCN(C(=O)C[C@H]1C=CCC1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C14H23NO3S/c1-2-8-15(13-7-9-19(17,18)11-13)14(16)10-12-5-3-4-6-12/h3,5,12-13H,2,4,6-11H2,1H3/t12-,13+/m0/s1
InChIKeySEBDOAMUJJPCIO-QWHCGFSZSA-N
MW285.41 g/mol
LogP1.77
Rot. Bonds5

About 2-[(1S)-cyclopent-2-en-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-propylacetamide

2-[(1S)-cyclopent-2-en-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-propylacetamide (PubChem CID 52556128) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-[(1S)-cyclopent-2-en-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[(1S)-cyclopent-2-en-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-propylacetamide
PubChem CID52556128
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name2-[(1S)-cyclopent-2-en-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-propylacetamide
SMILESCCCN(C(=O)C[C@H]1C=CCC1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C14H23NO3S/c1-2-8-15(13-7-9-19(17,18)11-13)14(16)10-12-5-3-4-6-12/h3,5,12-13H,2,4,6-11H2,1H3/t12-,13+/m0/s1
InChIKeySEBDOAMUJJPCIO-QWHCGFSZSA-N
XLogP1.77
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(1S)-cyclopent-2-en-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-propylacetamide 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

2-chloro-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3813491
N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3386590
(1R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-propylcyclohex-3-ene-1-carboxamide
CID 95266358
N-[(3S)-1,1-dioxothiolan-3-yl]-2-methoxy-N-propylacetamide
CID 95586858
N-(1,1-dioxothiolan-3-yl)-2-methyl-N-propylpropanamide
CID 86977043
4-amino-N-(1,1-dioxothiolan-3-yl)-N-propylpentanamide;hydrochloride
CID 120559052
N-(azetidin-3-yl)-2-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 66216056
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide
CID 60743082
N-(1,1-dioxothiolan-3-yl)-2-(dipropylamino)-N-ethylacetamide
CID 109003505
(2Z,4E)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-propylhexa-2,4-dienamide
CID 97449842
2-(N-benzylanilino)-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 112800265
N-[(3S)-1,1-dioxothiolan-3-yl]-N-propyl-2-pyrimidin-2-ylsulfanylacetamide
CID 9291786

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-propylacetamide?
The IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-propylacetamide (CID 52556128) is 2-[(1S)-cyclopent-2-en-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-propylacetamide.
What is the SMILES notation for 2-[(1S)-cyclopent-2-en-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-propylacetamide?
The canonical SMILES for 2-[(1S)-cyclopent-2-en-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-propylacetamide is CCCN(C(=O)C[C@H]1C=CCC1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(1S)-cyclopent-2-en-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-propylacetamide?
The InChIKey is SEBDOAMUJJPCIO-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-2-8-15(13-7-9-19(17,18)11-13)14(16)10-12-5-3-4-6-12/h3,5,12-13H,2,4,6-11H2,1H3/t12-,13+/m0/s1.
What are the key properties of 2-[(1S)-cyclopent-2-en-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-propylacetamide?
2-[(1S)-cyclopent-2-en-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-propylacetamide has a molecular weight of 285.41 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-cyclopent-2-en-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-propylacetamide is sourced from PubChem (CID 52556128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).