cobalt(3+);1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-2-id-3-one;1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-3-one;piperidin-1-id-2-ylmethanol;2H-pyridin-1-id-6-ylmethanol

C26H41CoN4O8S2 — CID 5235581

IUPACcobalt(3+);1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-2-id-3-one;1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-3-one;piperidin-1-id-2-ylmethanol;2H-pyridin-1-id-6-ylmethanol
SMILESO=C1NS(=O)(=O)C2CCCCC12.O=C1[N-]S(=O)(=O)C2CCCCC12.OCC1=CC=CC[N-]1.OCC1CCCC[N-]1.[Co+3]
InChIInChI=1S/2C7H11NO3S.C6H12NO.C6H8NO.Co/c2*9-7-5-3-1-2-4-6(5)12(10,11)8-7;2*8-5-6-3-1-2-4-7-6;/h2*5-6H,1-4H2,(H,8,9);6,8H,1-5H2;1-3,8H,4-5H2;/q;;2*-1;+3/p-1
InChIKeyHGOKWQMBPKLUOT-UHFFFAOYSA-M
MW660.70 g/mol
LogP2.50
Rot. Bonds2

About cobalt(3+);1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-2-id-3-one;1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-3-one;piperidin-1-id-2-ylmethanol;2H-pyridin-1-id-6-ylmethanol

cobalt(3+);1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-2-id-3-one;1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-3-one;piperidin-1-id-2-ylmethanol;2H-pyridin-1-id-6-ylmethanol (PubChem CID 5235581) has the molecular formula C26H41CoN4O8S2 and a molecular weight of 660.70 g/mol. Its IUPAC name is cobalt(3+);1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-2-id-3-one;1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-3-one;piperidin-1-id-2-ylmethanol;2H-pyridin-1-id-6-ylmethanol.

Molecular Properties

Compound Namecobalt(3+);1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-2-id-3-one;1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-3-one;piperidin-1-id-2-ylmethanol;2H-pyridin-1-id-6-ylmethanol
PubChem CID5235581
Molecular FormulaC26H41CoN4O8S2
Molecular Weight660.70 g/mol
Exact Mass660.17
IUPAC Namecobalt(3+);1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-2-id-3-one;1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-3-one;piperidin-1-id-2-ylmethanol;2H-pyridin-1-id-6-ylmethanol
SMILESO=C1NS(=O)(=O)C2CCCCC12.O=C1[N-]S(=O)(=O)C2CCCCC12.OCC1=CC=CC[N-]1.OCC1CCCC[N-]1.[Co+3]
InChIInChI=1S/2C7H11NO3S.C6H12NO.C6H8NO.Co/c2*9-7-5-3-1-2-4-6(5)12(10,11)8-7;2*8-5-6-3-1-2-4-7-6;/h2*5-6H,1-4H2,(H,8,9);6,8H,1-5H2;1-3,8H,4-5H2;/q;;2*-1;+3/p-1
InChIKeyHGOKWQMBPKLUOT-UHFFFAOYSA-M
XLogP2.50
TPSA197.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500660.70
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze cobalt(3+);1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-2-id-3-one;1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-3-one;piperidin-1-id-2-ylmethanol;2H-pyridin-1-id-6-ylmethanol 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

dicopper;1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-2-id-3-one;1,1-dioxo-1,2-benzothiazol-2-id-3-one;3-piperidin-1-id-2-ylpropan-1-ol;3-(2H-pyridin-1-id-6-yl)propan-1-ol
CID 5242429
(7aS)-1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-3-one
CID 166863529
acetic acid;tetrakis(copper(1+));3,6-dihydro-2H-pyridin-1-id-6-ylmethanol;tris(piperidin-1-id-2-ylmethanol)
CID 5245924
dioxidanium;di(piperidin-1-id-2-yl)-(2H-pyridin-1-id-6-yl)methanol;bis(terbium(3+));tetrakis(trifluoromethanesulfonic acid);tri(piperidin-1-id-2-yl)methanol
CID 5252116
1,2,3,4,4a,4b,5,9a-octahydrofluoren-9-one
CID 71367241
N-cyclopropyl-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 78813598
copper(1+);N-(3,6-dihydro-2H-pyridin-1-id-2-ylmethyl)-1-piperidin-1-id-2-yl-N-(piperidin-1-id-2-ylmethyl)methanamine;cyanide
CID 5257754
N-cyclopentyl-1,1-dioxo-4a,5,6,7,8,8a-hexahydrobenzo[e][1,4,3]oxathiazin-3-imine
CID 136941789
2-[(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)methyl]prop-2-enoic acid
CID 114512813
2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(3-chlorophenyl)acetamide
CID 2708286
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(4-methylphenyl)acetamide
CID 2666301
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 2499843

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-2-id-3-one;1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-3-one;piperidin-1-id-2-ylmethanol;2H-pyridin-1-id-6-ylmethanol?
The IUPAC name of cobalt(3+);1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-2-id-3-one;1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-3-one;piperidin-1-id-2-ylmethanol;2H-pyridin-1-id-6-ylmethanol (CID 5235581) is cobalt(3+);1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-2-id-3-one;1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-3-one;piperidin-1-id-2-ylmethanol;2H-pyridin-1-id-6-ylmethanol.
What is the SMILES notation for cobalt(3+);1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-2-id-3-one;1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-3-one;piperidin-1-id-2-ylmethanol;2H-pyridin-1-id-6-ylmethanol?
The canonical SMILES for cobalt(3+);1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-2-id-3-one;1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-3-one;piperidin-1-id-2-ylmethanol;2H-pyridin-1-id-6-ylmethanol is O=C1NS(=O)(=O)C2CCCCC12.O=C1[N-]S(=O)(=O)C2CCCCC12.OCC1=CC=CC[N-]1.OCC1CCCC[N-]1.[Co+3].
What is the InChIKey of cobalt(3+);1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-2-id-3-one;1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-3-one;piperidin-1-id-2-ylmethanol;2H-pyridin-1-id-6-ylmethanol?
The InChIKey is HGOKWQMBPKLUOT-UHFFFAOYSA-M. The full InChI is InChI=1S/2C7H11NO3S.C6H12NO.C6H8NO.Co/c2*9-7-5-3-1-2-4-6(5)12(10,11)8-7;2*8-5-6-3-1-2-4-7-6;/h2*5-6H,1-4H2,(H,8,9);6,8H,1-5H2;1-3,8H,4-5H2;/q;;2*-1;+3/p-1.
What are the key properties of cobalt(3+);1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-2-id-3-one;1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-3-one;piperidin-1-id-2-ylmethanol;2H-pyridin-1-id-6-ylmethanol?
cobalt(3+);1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-2-id-3-one;1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-3-one;piperidin-1-id-2-ylmethanol;2H-pyridin-1-id-6-ylmethanol has a molecular weight of 660.70 g/mol, XLogP of 2.50, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-2-id-3-one;1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-3-one;piperidin-1-id-2-ylmethanol;2H-pyridin-1-id-6-ylmethanol is sourced from PubChem (CID 5235581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).