(3-oxocyclopentyl) N-amino-N-(benzenesulfonyl)carbamate

C12H14N2O5S — CID 167046285

IUPAC(3-oxocyclopentyl) N-amino-N-(benzenesulfonyl)carbamate
SMILESNN(C(=O)OC1CCC(=O)C1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H14N2O5S/c13-14(12(16)19-10-7-6-9(15)8-10)20(17,18)11-4-2-1-3-5-11/h1-5,10H,6-8,13H2
InChIKeyJSYKLNGDEPNYKF-UHFFFAOYSA-N
MW298.32 g/mol
LogP0.81
Rot. Bonds3

About (3-oxocyclopentyl) N-amino-N-(benzenesulfonyl)carbamate

(3-oxocyclopentyl) N-amino-N-(benzenesulfonyl)carbamate (PubChem CID 167046285) has the molecular formula C12H14N2O5S and a molecular weight of 298.32 g/mol. Its IUPAC name is (3-oxocyclopentyl) N-amino-N-(benzenesulfonyl)carbamate.

Molecular Properties

Compound Name(3-oxocyclopentyl) N-amino-N-(benzenesulfonyl)carbamate
PubChem CID167046285
Molecular FormulaC12H14N2O5S
Molecular Weight298.32 g/mol
Exact Mass298.06
IUPAC Name(3-oxocyclopentyl) N-amino-N-(benzenesulfonyl)carbamate
SMILESNN(C(=O)OC1CCC(=O)C1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H14N2O5S/c13-14(12(16)19-10-7-6-9(15)8-10)20(17,18)11-4-2-1-3-5-11/h1-5,10H,6-8,13H2
InChIKeyJSYKLNGDEPNYKF-UHFFFAOYSA-N
XLogP0.81
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3-oxocyclopentyl) N-amino-N-(benzenesulfonyl)carbamate 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

(2,2-dioxooxathiolan-4-yl) N-amino-N-(benzenesulfonyl)carbamate
CID 167046313
3-(benzenesulfonyl)cyclopentan-1-one
CID 64722631
cis-(1R,2S)-2-(benzenesulfonyl)-5-oxocyclohexane-1-carbonitrile
CID 11139961
(3-oxocyclopentyl) N-amino-N-[fluoro(prop-2-enoxy)phosphoryl]carbamate
CID 167046444
3-(3-methylsulfonylphenoxy)cyclopentan-1-one
CID 79643685
2-(benzenesulfonyl)-2-(3-oxocyclopentyl)propanoic acid
CID 141123718
(3-oxocyclopentyl) propanoate
CID 91481341
(3-oxocyclohexyl) hydrogen carbonate;styrene
CID 174675684
(4-oxocyclohexyl) 2-phenylacetate
CID 175483439
3-(2-phenylphenoxy)cyclopentan-1-one
CID 79643797
benzyl N-(benzenesulfonyl)-N-cyclohexylcarbamate
CID 100967511
N-(benzenesulfonyl)-4-nitrobenzohydrazide
CID 53437534

Frequently Asked Questions

What is the IUPAC name of (3-oxocyclopentyl) N-amino-N-(benzenesulfonyl)carbamate?
The IUPAC name of (3-oxocyclopentyl) N-amino-N-(benzenesulfonyl)carbamate (CID 167046285) is (3-oxocyclopentyl) N-amino-N-(benzenesulfonyl)carbamate.
What is the SMILES notation for (3-oxocyclopentyl) N-amino-N-(benzenesulfonyl)carbamate?
The canonical SMILES for (3-oxocyclopentyl) N-amino-N-(benzenesulfonyl)carbamate is NN(C(=O)OC1CCC(=O)C1)S(=O)(=O)c1ccccc1.
What is the InChIKey of (3-oxocyclopentyl) N-amino-N-(benzenesulfonyl)carbamate?
The InChIKey is JSYKLNGDEPNYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5S/c13-14(12(16)19-10-7-6-9(15)8-10)20(17,18)11-4-2-1-3-5-11/h1-5,10H,6-8,13H2.
What are the key properties of (3-oxocyclopentyl) N-amino-N-(benzenesulfonyl)carbamate?
(3-oxocyclopentyl) N-amino-N-(benzenesulfonyl)carbamate has a molecular weight of 298.32 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxocyclopentyl) N-amino-N-(benzenesulfonyl)carbamate is sourced from PubChem (CID 167046285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).