[(2R)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]methanol

C9H13ClN2O3S2 — CID 103833916

IUPAC[(2R)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]methanol
SMILESCc1nc(Cl)sc1S(=O)(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C9H13ClN2O3S2/c1-6-8(16-9(10)11-6)17(14,15)12-4-2-3-7(12)5-13/h7,13H,2-5H2,1H3/t7-/m1/s1
InChIKeyUOSYVOJJSBQANC-SSDOTTSWSA-N
MW296.80 g/mol
LogP1.25
Rot. Bonds3

About [(2R)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]methanol

[(2R)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]methanol (PubChem CID 103833916) has the molecular formula C9H13ClN2O3S2 and a molecular weight of 296.80 g/mol. Its IUPAC name is [(2R)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]methanol
PubChem CID103833916
Molecular FormulaC9H13ClN2O3S2
Molecular Weight296.80 g/mol
Exact Mass296.01
IUPAC Name[(2R)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]methanol
SMILESCc1nc(Cl)sc1S(=O)(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C9H13ClN2O3S2/c1-6-8(16-9(10)11-6)17(14,15)12-4-2-3-7(12)5-13/h7,13H,2-5H2,1H3/t7-/m1/s1
InChIKeyUOSYVOJJSBQANC-SSDOTTSWSA-N
XLogP1.25
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-Chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-ol
CID 43456106
2-[1-[(2-Chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]ethanol
CID 43456109
[1-[(2-Chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]methanol
CID 43590360
2-Chloro-5-(2-ethylpyrrolidin-1-yl)sulfonyl-4-methyl-1,3-thiazole
CID 54885885
2-chloro-N-(2-hydroxyethyl)-4-methyl-N-pentan-3-yl-1,3-thiazole-5-sulfonamide
CID 54998953
2-chloro-N-(2-hydroxyethyl)-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 60961444
2-Chloro-4-methyl-5-(2-methylpyrrolidin-1-yl)sulfonyl-1,3-thiazole
CID 60974266
2-chloro-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 60980773
2-chloro-N-hexyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 61045187
2-chloro-N-(2-hydroxyethyl)-4-methyl-N-propyl-1,3-thiazole-5-sulfonamide
CID 61045214
2-chloro-N-cyclopentyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 61045375
2-chloro-N-(2-hydroxyethyl)-4-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide
CID 61045926

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]methanol (CID 103833916) is [(2R)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]methanol is Cc1nc(Cl)sc1S(=O)(=O)N1CCC[C@@H]1CO.
What is the InChIKey of [(2R)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]methanol?
The InChIKey is UOSYVOJJSBQANC-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13ClN2O3S2/c1-6-8(16-9(10)11-6)17(14,15)12-4-2-3-7(12)5-13/h7,13H,2-5H2,1H3/t7-/m1/s1.
What are the key properties of [(2R)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]methanol has a molecular weight of 296.80 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 103833916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).