(3R,4S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3,4-diol

C8H12N2O4S2 — CID 104600170

IUPAC(3R,4S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3,4-diol
SMILESCc1ncc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)s1
InChIInChI=1S/C8H12N2O4S2/c1-5-9-2-8(15-5)16(13,14)10-3-6(11)7(12)4-10/h2,6-7,11-12H,3-4H2,1H3/t6-,7+
InChIKeySETKWBUMEVMONS-KNVOCYPGSA-N
MW264.33 g/mol
LogP-0.82
Rot. Bonds2

About (3R,4S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3,4-diol

(3R,4S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3,4-diol (PubChem CID 104600170) has the molecular formula C8H12N2O4S2 and a molecular weight of 264.33 g/mol. Its IUPAC name is (3R,4S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3R,4S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3,4-diol
PubChem CID104600170
Molecular FormulaC8H12N2O4S2
Molecular Weight264.33 g/mol
Exact Mass264.02
IUPAC Name(3R,4S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3,4-diol
SMILESCc1ncc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)s1
InChIInChI=1S/C8H12N2O4S2/c1-5-9-2-8(15-5)16(13,14)10-3-6(11)7(12)4-10/h2,6-7,11-12H,3-4H2,1H3/t6-,7+
InChIKeySETKWBUMEVMONS-KNVOCYPGSA-N
XLogP-0.82
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R,4S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3,4-diol 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

(3R,4S)-1-[2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethyl]pyrrolidine-3,4-diol
CID 58328435
N-(2-hydroxyethyl)-N,2-dimethyl-1,3-thiazole-5-sulfonamide
CID 103847900
2-(1-Hydroxyethyl)-1,3-thiazole-5-sulfonamide
CID 137459279
2-(1,2-Dihydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide
CID 146570563
2-[(2R)-1,2-dihydroxypropan-2-yl]-1,3-thiazole-5-sulfonamide
CID 146570888
2-[(2S)-1,2-dihydroxypropan-2-yl]-1,3-thiazole-5-sulfonamide
CID 146571011
2-[(1R)-1-hydroxyethyl]-1,3-thiazole-5-sulfonamide
CID 173862115
2-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-5-sulfonamide
CID 54999241
2-chloro-N-(2-hydroxyethyl)-N-propyl-1,3-thiazole-5-sulfonamide
CID 61045033
N-butyl-2-chloro-N-(2-hydroxyethyl)-1,3-thiazole-5-sulfonamide
CID 61047237
2-chloro-N-(2-hydroxypropyl)-N-methyl-1,3-thiazole-5-sulfonamide
CID 62332833
1-[(2-Chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-3-ol
CID 62941558

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3,4-diol?
The IUPAC name of (3R,4S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3,4-diol (CID 104600170) is (3R,4S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3,4-diol.
What is the SMILES notation for (3R,4S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3,4-diol?
The canonical SMILES for (3R,4S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3,4-diol is Cc1ncc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)s1.
What is the InChIKey of (3R,4S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3,4-diol?
The InChIKey is SETKWBUMEVMONS-KNVOCYPGSA-N. The full InChI is InChI=1S/C8H12N2O4S2/c1-5-9-2-8(15-5)16(13,14)10-3-6(11)7(12)4-10/h2,6-7,11-12H,3-4H2,1H3/t6-,7+.
What are the key properties of (3R,4S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3,4-diol?
(3R,4S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3,4-diol has a molecular weight of 264.33 g/mol, XLogP of -0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 104600170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).