(1,1-dioxo-1,3-thiazolidin-3-yl)-(3-nitrophenyl)methanone

C10H10N2O5S — CID 118061580

IUPAC(1,1-dioxo-1,3-thiazolidin-3-yl)-(3-nitrophenyl)methanone
SMILESO=C(c1cccc([N+](=O)[O-])c1)N1CCS(=O)(=O)C1
InChIInChI=1S/C10H10N2O5S/c13-10(11-4-5-18(16,17)7-11)8-2-1-3-9(6-8)12(14)15/h1-3,6H,4-5,7H2
InChIKeyQEDSVXCNTVYJQR-UHFFFAOYSA-N
MW270.27 g/mol
LogP0.42
Rot. Bonds2

About (1,1-dioxo-1,3-thiazolidin-3-yl)-(3-nitrophenyl)methanone

(1,1-dioxo-1,3-thiazolidin-3-yl)-(3-nitrophenyl)methanone (PubChem CID 118061580) has the molecular formula C10H10N2O5S and a molecular weight of 270.27 g/mol. Its IUPAC name is (1,1-dioxo-1,3-thiazolidin-3-yl)-(3-nitrophenyl)methanone.

Molecular Properties

Compound Name(1,1-dioxo-1,3-thiazolidin-3-yl)-(3-nitrophenyl)methanone
PubChem CID118061580
Molecular FormulaC10H10N2O5S
Molecular Weight270.27 g/mol
Exact Mass270.03
IUPAC Name(1,1-dioxo-1,3-thiazolidin-3-yl)-(3-nitrophenyl)methanone
SMILESO=C(c1cccc([N+](=O)[O-])c1)N1CCS(=O)(=O)C1
InChIInChI=1S/C10H10N2O5S/c13-10(11-4-5-18(16,17)7-11)8-2-1-3-9(6-8)12(14)15/h1-3,6H,4-5,7H2
InChIKeyQEDSVXCNTVYJQR-UHFFFAOYSA-N
XLogP0.42
TPSA97.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3,4-dihydroxypyrrolidin-1-yl)-(3-nitrophenyl)methanone
CID 106671637
(4-methylpiperidin-1-yl)-(3-nitrophenyl)methanone
CID 711512
4-(3-nitrobenzoyl)piperazine-1-carbaldehyde
CID 774429
(1,1-dioxo-7-thiophen-2-yl-1,4-thiazepan-4-yl)-(3-nitrophenyl)methanone
CID 121191408
[3-(bromomethyl)pyrrolidin-1-yl]-(3-nitrophenyl)methanone
CID 80666970
N-[3-(azepane-1-carbonyl)phenyl]-3-nitrobenzamide
CID 26159248
(2,6-dimethylmorpholin-4-yl)-(3-nitrophenyl)methanone
CID 2832217
3-methyl-1-(3-nitrobenzoyl)pyrrolidine-3-carboxylic acid
CID 63142915
N-(3-methylphenyl)-4-(3-nitrobenzoyl)piperazine-1-carboxamide
CID 49467498
(2-chloro-5-nitrophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 43581675
[4-(3,4-dimethylphenyl)piperazin-1-yl]-(3-nitrophenyl)methanone
CID 707113
[3-(hydroxymethyl)piperidin-1-yl]-(3-nitrophenyl)methanone
CID 3282129

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1,3-thiazolidin-3-yl)-(3-nitrophenyl)methanone?
The IUPAC name of (1,1-dioxo-1,3-thiazolidin-3-yl)-(3-nitrophenyl)methanone (CID 118061580) is (1,1-dioxo-1,3-thiazolidin-3-yl)-(3-nitrophenyl)methanone.
What is the SMILES notation for (1,1-dioxo-1,3-thiazolidin-3-yl)-(3-nitrophenyl)methanone?
The canonical SMILES for (1,1-dioxo-1,3-thiazolidin-3-yl)-(3-nitrophenyl)methanone is O=C(c1cccc([N+](=O)[O-])c1)N1CCS(=O)(=O)C1.
What is the InChIKey of (1,1-dioxo-1,3-thiazolidin-3-yl)-(3-nitrophenyl)methanone?
The InChIKey is QEDSVXCNTVYJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O5S/c13-10(11-4-5-18(16,17)7-11)8-2-1-3-9(6-8)12(14)15/h1-3,6H,4-5,7H2.
What are the key properties of (1,1-dioxo-1,3-thiazolidin-3-yl)-(3-nitrophenyl)methanone?
(1,1-dioxo-1,3-thiazolidin-3-yl)-(3-nitrophenyl)methanone has a molecular weight of 270.27 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-1,3-thiazolidin-3-yl)-(3-nitrophenyl)methanone is sourced from PubChem (CID 118061580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).