(2-chloro-5-nitrophenyl)-thiomorpholin-4-ylmethanone

C11H11ClN2O3S — CID 28787276

IUPAC(2-chloro-5-nitrophenyl)-thiomorpholin-4-ylmethanone
SMILESO=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCSCC1
InChIInChI=1S/C11H11ClN2O3S/c12-10-2-1-8(14(16)17)7-9(10)11(15)13-3-5-18-6-4-13/h1-2,7H,3-6H2
InChIKeyLUTTVZISPGGHPT-UHFFFAOYSA-N
MW286.74 g/mol
LogP2.44
Rot. Bonds2

About (2-chloro-5-nitrophenyl)-thiomorpholin-4-ylmethanone

(2-chloro-5-nitrophenyl)-thiomorpholin-4-ylmethanone (PubChem CID 28787276) has the molecular formula C11H11ClN2O3S and a molecular weight of 286.74 g/mol. Its IUPAC name is (2-chloro-5-nitrophenyl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(2-chloro-5-nitrophenyl)-thiomorpholin-4-ylmethanone
PubChem CID28787276
Molecular FormulaC11H11ClN2O3S
Molecular Weight286.74 g/mol
Exact Mass286.02
IUPAC Name(2-chloro-5-nitrophenyl)-thiomorpholin-4-ylmethanone
SMILESO=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCSCC1
InChIInChI=1S/C11H11ClN2O3S/c12-10-2-1-8(14(16)17)7-9(10)11(15)13-3-5-18-6-4-13/h1-2,7H,3-6H2
InChIKeyLUTTVZISPGGHPT-UHFFFAOYSA-N
XLogP2.44
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-chloro-5-nitrophenyl)-thiomorpholin-4-ylmethanone 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-5-nitrophenyl)-morpholin-4-ylmethanone
CID 736596
(2-chloro-5-nitrophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 43581675
(2-chloro-5-nitrophenyl)-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79410094
(2-chloro-5-nitrophenyl)-[4-(2,5-dichlorophenyl)piperazin-1-yl]methanone
CID 165435939
(2-chloro-5-nitrophenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone
CID 90522385
1-(2-chloro-5-nitrobenzoyl)pyrrolidine-3-carboxylic acid
CID 63030602
2-[4-(2-chloro-5-nitrobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 134025169
CID 161054765
CID 161054765
(2-chloro-5-nitrophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 115686859
2-[4-(2-chloro-5-nitrobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 78810203
(2-chloro-5-nitrophenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 25492012
1-(2-chloro-5-nitrobenzoyl)piperidine-3-carboxamide
CID 43082274

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-nitrophenyl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (2-chloro-5-nitrophenyl)-thiomorpholin-4-ylmethanone (CID 28787276) is (2-chloro-5-nitrophenyl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (2-chloro-5-nitrophenyl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (2-chloro-5-nitrophenyl)-thiomorpholin-4-ylmethanone is O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCSCC1.
What is the InChIKey of (2-chloro-5-nitrophenyl)-thiomorpholin-4-ylmethanone?
The InChIKey is LUTTVZISPGGHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3S/c12-10-2-1-8(14(16)17)7-9(10)11(15)13-3-5-18-6-4-13/h1-2,7H,3-6H2.
What are the key properties of (2-chloro-5-nitrophenyl)-thiomorpholin-4-ylmethanone?
(2-chloro-5-nitrophenyl)-thiomorpholin-4-ylmethanone has a molecular weight of 286.74 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-nitrophenyl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 28787276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).