2-(2-amino-1,3-thiazolidin-3-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone

C11H20N3O3S- — CID 163146359

IUPAC2-(2-amino-1,3-thiazolidin-3-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone
SMILESNC1SCCN1CC(=O)C1CCC(N([O-])O)CC1
InChIInChI=1S/C11H20N3O3S/c12-11-13(5-6-18-11)7-10(15)8-1-3-9(4-2-8)14(16)17/h8-9,11,16H,1-7,12H2/q-1
InChIKeyDNNMTHJDLMHLMM-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.59
Rot. Bonds4

About 2-(2-amino-1,3-thiazolidin-3-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone

2-(2-amino-1,3-thiazolidin-3-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone (PubChem CID 163146359) has the molecular formula C11H20N3O3S- and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazolidin-3-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazolidin-3-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone
PubChem CID163146359
Molecular FormulaC11H20N3O3S-
Molecular Weight274.37 g/mol
Exact Mass274.12
IUPAC Name2-(2-amino-1,3-thiazolidin-3-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone
SMILESNC1SCCN1CC(=O)C1CCC(N([O-])O)CC1
InChIInChI=1S/C11H20N3O3S/c12-11-13(5-6-18-11)7-10(15)8-1-3-9(4-2-8)14(16)17/h8-9,11,16H,1-7,12H2/q-1
InChIKeyDNNMTHJDLMHLMM-UHFFFAOYSA-N
XLogP0.59
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-3-methylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone
CID 163178219
1-(2-amino-1,3-thiazolidin-3-yl)propan-2-one
CID 163130550
1-[4-[hydroxy(oxido)amino]cyclohexyl]-2-(3-methylpiperidin-1-yl)ethanone
CID 163171818
2-(3,5-dimethylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone
CID 163140990
2-(2-amino-5-iodopiperidin-1-yl)-1-[3-[hydroxy(oxido)amino]cyclohexyl]ethanone
CID 163121886
3-[(4-chlorocyclohexyl)methyl]-1,3-thiazolidin-2-amine
CID 163180640
2-(2-aminopiperidin-1-yl)-1-(4-cyclohexylcyclohexyl)ethanone
CID 163117426
1-cyclopropyl-2-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116635350
1-[3-[hydroxy(oxido)amino]cyclohexyl]-2-(2-methyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridin-1-yl)ethanone
CID 163125592
2-(2,4-dimethylpiperidin-1-yl)-1-[4-ethoxy-3-[hydroxy(oxido)amino]cyclohexyl]ethanone
CID 163124821
2-(2-aminopiperidin-1-yl)-1-(3,4-dichlorocyclohexyl)ethanone
CID 163165853
1-cyclopropyl-2-(4-ethylpiperidin-1-yl)ethanone
CID 63913438

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazolidin-3-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone?
The IUPAC name of 2-(2-amino-1,3-thiazolidin-3-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone (CID 163146359) is 2-(2-amino-1,3-thiazolidin-3-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone.
What is the SMILES notation for 2-(2-amino-1,3-thiazolidin-3-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone?
The canonical SMILES for 2-(2-amino-1,3-thiazolidin-3-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone is NC1SCCN1CC(=O)C1CCC(N([O-])O)CC1.
What is the InChIKey of 2-(2-amino-1,3-thiazolidin-3-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone?
The InChIKey is DNNMTHJDLMHLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N3O3S/c12-11-13(5-6-18-11)7-10(15)8-1-3-9(4-2-8)14(16)17/h8-9,11,16H,1-7,12H2/q-1.
What are the key properties of 2-(2-amino-1,3-thiazolidin-3-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone?
2-(2-amino-1,3-thiazolidin-3-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone has a molecular weight of 274.37 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazolidin-3-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone is sourced from PubChem (CID 163146359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).