[(4R)-3,3-dimethyl-2-(2-methylpropyl)-1,3-thiazolidin-3-ium-4-yl]methanol

C10H22NOS+ — CID 15052281

IUPAC[(4R)-3,3-dimethyl-2-(2-methylpropyl)-1,3-thiazolidin-3-ium-4-yl]methanol
SMILESCC(C)CC1SC[C@@H](CO)[N+]1(C)C
InChIInChI=1S/C10H22NOS/c1-8(2)5-10-11(3,4)9(6-12)7-13-10/h8-10,12H,5-7H2,1-4H3/q+1/t9-,10?/m1/s1
InChIKeyBEVXALMOJJEBQK-YHMJZVADSA-N
MW204.36 g/mol
LogP1.54
Rot. Bonds3

About [(4R)-3,3-dimethyl-2-(2-methylpropyl)-1,3-thiazolidin-3-ium-4-yl]methanol

[(4R)-3,3-dimethyl-2-(2-methylpropyl)-1,3-thiazolidin-3-ium-4-yl]methanol (PubChem CID 15052281) has the molecular formula C10H22NOS+ and a molecular weight of 204.36 g/mol. Its IUPAC name is [(4R)-3,3-dimethyl-2-(2-methylpropyl)-1,3-thiazolidin-3-ium-4-yl]methanol.

Molecular Properties

Compound Name[(4R)-3,3-dimethyl-2-(2-methylpropyl)-1,3-thiazolidin-3-ium-4-yl]methanol
PubChem CID15052281
Molecular FormulaC10H22NOS+
Molecular Weight204.36 g/mol
Exact Mass204.14
IUPAC Name[(4R)-3,3-dimethyl-2-(2-methylpropyl)-1,3-thiazolidin-3-ium-4-yl]methanol
SMILESCC(C)CC1SC[C@@H](CO)[N+]1(C)C
InChIInChI=1S/C10H22NOS/c1-8(2)5-10-11(3,4)9(6-12)7-13-10/h8-10,12H,5-7H2,1-4H3/q+1/t9-,10?/m1/s1
InChIKeyBEVXALMOJJEBQK-YHMJZVADSA-N
XLogP1.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(3S,4R)-4-(2-fluoroethylsulfanylmethyl)-1-methylpyrrolidin-3-ol
CID 140545342
(3S,4R)-1-ethyl-4-(2-fluoroethylsulfanylmethyl)pyrrolidin-3-ol
CID 145736765
[(4R)-3-methyl-2-(2-methylpropyl)-1,3-thiazolidin-4-yl]methanol
CID 15052279
(2,2,3-Trimethyl-1,3-thiazolidin-4-yl)methanol
CID 20699078
(2S)-1-(2-hydroxyethyl)-3-(3-hydroxy-2-methylpropyl)sulfanylpyrrolidin-2-ol
CID 122643737
(3R,4S)-1-methyl-4-(propylsulfanylmethyl)pyrrolidin-3-ol
CID 140507735
(3R,4S)-4-(butylsulfanylmethyl)-1-methylpyrrolidin-3-ol
CID 140507736
(3R,4S)-4-(ethylsulfanylmethyl)-1-methylpyrrolidin-3-ol
CID 140507737
(3R,4S)-1-methyl-4-(propan-2-ylsulfanylmethyl)pyrrolidin-3-ol
CID 140507742
(3S,4R)-4-(ethylsulfanylmethyl)-1-methylpyrrolidin-3-ol
CID 140545349
(3S,4R)-1-methyl-4-(propan-2-ylsulfanylmethyl)pyrrolidin-3-ol
CID 140545350
(3S,4R)-4-(butylsulfanylmethyl)-1-methylpyrrolidin-3-ol
CID 140545352

Frequently Asked Questions

What is the IUPAC name of [(4R)-3,3-dimethyl-2-(2-methylpropyl)-1,3-thiazolidin-3-ium-4-yl]methanol?
The IUPAC name of [(4R)-3,3-dimethyl-2-(2-methylpropyl)-1,3-thiazolidin-3-ium-4-yl]methanol (CID 15052281) is [(4R)-3,3-dimethyl-2-(2-methylpropyl)-1,3-thiazolidin-3-ium-4-yl]methanol.
What is the SMILES notation for [(4R)-3,3-dimethyl-2-(2-methylpropyl)-1,3-thiazolidin-3-ium-4-yl]methanol?
The canonical SMILES for [(4R)-3,3-dimethyl-2-(2-methylpropyl)-1,3-thiazolidin-3-ium-4-yl]methanol is CC(C)CC1SC[C@@H](CO)[N+]1(C)C.
What is the InChIKey of [(4R)-3,3-dimethyl-2-(2-methylpropyl)-1,3-thiazolidin-3-ium-4-yl]methanol?
The InChIKey is BEVXALMOJJEBQK-YHMJZVADSA-N. The full InChI is InChI=1S/C10H22NOS/c1-8(2)5-10-11(3,4)9(6-12)7-13-10/h8-10,12H,5-7H2,1-4H3/q+1/t9-,10?/m1/s1.
What are the key properties of [(4R)-3,3-dimethyl-2-(2-methylpropyl)-1,3-thiazolidin-3-ium-4-yl]methanol?
[(4R)-3,3-dimethyl-2-(2-methylpropyl)-1,3-thiazolidin-3-ium-4-yl]methanol has a molecular weight of 204.36 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-3,3-dimethyl-2-(2-methylpropyl)-1,3-thiazolidin-3-ium-4-yl]methanol is sourced from PubChem (CID 15052281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).