(4R)-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide

C12H22N2O2S — CID 124596585

IUPAC(4R)-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide
SMILESC[C@]1(CNC(=O)[C@@H]2CSCN2)CCCC[C@H]1O
InChIInChI=1S/C12H22N2O2S/c1-12(5-3-2-4-10(12)15)7-13-11(16)9-6-17-8-14-9/h9-10,14-15H,2-8H2,1H3,(H,13,16)/t9-,10+,12+/m0/s1
InChIKeyIEYSRVXBBJQVFK-HOSYDEDBSA-N
MW258.39 g/mol
LogP0.71
Rot. Bonds3

About (4R)-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide

(4R)-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 124596585) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is (4R)-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID124596585
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name(4R)-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide
SMILESC[C@]1(CNC(=O)[C@@H]2CSCN2)CCCC[C@H]1O
InChIInChI=1S/C12H22N2O2S/c1-12(5-3-2-4-10(12)15)7-13-11(16)9-6-17-8-14-9/h9-10,14-15H,2-8H2,1H3,(H,13,16)/t9-,10+,12+/m0/s1
InChIKeyIEYSRVXBBJQVFK-HOSYDEDBSA-N
XLogP0.71
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (4R)-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide with MolForge

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Related Compounds

(2S,4R)-4-hydroxy-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide
CID 125150294
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 81434148
4,4-difluoro-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]cyclohexane-1-carboxamide
CID 124568326
N-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 105417283
N-[(2-hydroxycyclohexyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119330198
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119861113
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119302310
3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]butanamide;hydrochloride
CID 119801902
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 119303673
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 119303951
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 106101660
N-(4-cyclopentylbutyl)-1,3-thiazolidine-4-carboxamide
CID 119327705

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide (CID 124596585) is (4R)-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide is C[C@]1(CNC(=O)[C@@H]2CSCN2)CCCC[C@H]1O.
What is the InChIKey of (4R)-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is IEYSRVXBBJQVFK-HOSYDEDBSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-12(5-3-2-4-10(12)15)7-13-11(16)9-6-17-8-14-9/h9-10,14-15H,2-8H2,1H3,(H,13,16)/t9-,10+,12+/m0/s1.
What are the key properties of (4R)-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide?
(4R)-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 258.39 g/mol, XLogP of 0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 124596585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).