(2,5-dichlorothiophen-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone

C10H10Cl2N2O2S — CID 107962407

IUPAC(2,5-dichlorothiophen-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone
SMILESO=C(c1cc(Cl)sc1Cl)N1CCC(=NO)CC1
InChIInChI=1S/C10H10Cl2N2O2S/c11-8-5-7(9(12)17-8)10(15)14-3-1-6(13-16)2-4-14/h5,16H,1-4H2
InChIKeySVQNSOYVAKPLEO-UHFFFAOYSA-N
MW293.18 g/mol
LogP3.12
Rot. Bonds1

About (2,5-dichlorothiophen-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone

(2,5-dichlorothiophen-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone (PubChem CID 107962407) has the molecular formula C10H10Cl2N2O2S and a molecular weight of 293.18 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone
PubChem CID107962407
Molecular FormulaC10H10Cl2N2O2S
Molecular Weight293.18 g/mol
Exact Mass291.98
IUPAC Name(2,5-dichlorothiophen-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone
SMILESO=C(c1cc(Cl)sc1Cl)N1CCC(=NO)CC1
InChIInChI=1S/C10H10Cl2N2O2S/c11-8-5-7(9(12)17-8)10(15)14-3-1-6(13-16)2-4-14/h5,16H,1-4H2
InChIKeySVQNSOYVAKPLEO-UHFFFAOYSA-N
XLogP3.12
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.18
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2,5-dichlorothiophen-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone 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

(2,5-dichlorothiophen-3-yl)-piperazin-1-ylmethanone
CID 103629624
4-(2,5-dichlorothiophene-3-carbonyl)piperazine-1-sulfonamide
CID 95979713
(4-bromo-2-chlorophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 43805526
(2,5-dichlorothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 42470295
[4-(1-chloroethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone
CID 107966408
[(3R)-3-aminopyrrolidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone
CID 103805040
[4-(1-bromoethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone
CID 107966411
(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107963575
2-[4-(2,5-dichlorothiophene-3-carbonyl)piperazin-1-yl]-2-methylpropanethioamide
CID 107961806
(3-aminopyrrolidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride
CID 119482772
(2,5-dichlorothiophen-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856983
(2,5-dichlorothiophen-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 51306337

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone (CID 107962407) is (2,5-dichlorothiophen-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone is O=C(c1cc(Cl)sc1Cl)N1CCC(=NO)CC1.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone?
The InChIKey is SVQNSOYVAKPLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O2S/c11-8-5-7(9(12)17-8)10(15)14-3-1-6(13-16)2-4-14/h5,16H,1-4H2.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone?
(2,5-dichlorothiophen-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone has a molecular weight of 293.18 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone is sourced from PubChem (CID 107962407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).