5-(3-chloropyrrolidin-1-yl)sulfonyl-2-methyl-1,3-thiazole

C8H11ClN2O2S2 — CID 103415890

IUPAC5-(3-chloropyrrolidin-1-yl)sulfonyl-2-methyl-1,3-thiazole
SMILESCc1ncc(S(=O)(=O)N2CCC(Cl)C2)s1
InChIInChI=1S/C8H11ClN2O2S2/c1-6-10-4-8(14-6)15(12,13)11-3-2-7(9)5-11/h4,7H,2-3,5H2,1H3
InChIKeyOYPGPIDQPQBGSJ-UHFFFAOYSA-N
MW266.77 g/mol
LogP1.45
Rot. Bonds2

About 5-(3-chloropyrrolidin-1-yl)sulfonyl-2-methyl-1,3-thiazole

5-(3-chloropyrrolidin-1-yl)sulfonyl-2-methyl-1,3-thiazole (PubChem CID 103415890) has the molecular formula C8H11ClN2O2S2 and a molecular weight of 266.77 g/mol. Its IUPAC name is 5-(3-chloropyrrolidin-1-yl)sulfonyl-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(3-chloropyrrolidin-1-yl)sulfonyl-2-methyl-1,3-thiazole
PubChem CID103415890
Molecular FormulaC8H11ClN2O2S2
Molecular Weight266.77 g/mol
Exact Mass266.00
IUPAC Name5-(3-chloropyrrolidin-1-yl)sulfonyl-2-methyl-1,3-thiazole
SMILESCc1ncc(S(=O)(=O)N2CCC(Cl)C2)s1
InChIInChI=1S/C8H11ClN2O2S2/c1-6-10-4-8(14-6)15(12,13)11-3-2-7(9)5-11/h4,7H,2-3,5H2,1H3
InChIKeyOYPGPIDQPQBGSJ-UHFFFAOYSA-N
XLogP1.45
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-bromo-3-methylpiperidin-1-yl)sulfonyl-2-methyl-1,3-thiazole
CID 103416177
1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid
CID 103862581
1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol
CID 103847906
(3R,4S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3,4-diol
CID 104600170
2-cyclobutyl-4-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]morpholine
CID 128777456
ethyl 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-3-carboxylate
CID 103815305
N-ethyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]ethanamine
CID 103413657
N-[1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]ethyl]propan-1-amine
CID 103413649
(2S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylic acid
CID 104937088
5-(2-isocyanatopyrrolidin-1-yl)sulfonyl-2-methyl-1,3-thiazole
CID 103414770
methyl 4-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxylate
CID 103847983
(3aS,6aR)-2-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120679506

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloropyrrolidin-1-yl)sulfonyl-2-methyl-1,3-thiazole?
The IUPAC name of 5-(3-chloropyrrolidin-1-yl)sulfonyl-2-methyl-1,3-thiazole (CID 103415890) is 5-(3-chloropyrrolidin-1-yl)sulfonyl-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-(3-chloropyrrolidin-1-yl)sulfonyl-2-methyl-1,3-thiazole?
The canonical SMILES for 5-(3-chloropyrrolidin-1-yl)sulfonyl-2-methyl-1,3-thiazole is Cc1ncc(S(=O)(=O)N2CCC(Cl)C2)s1.
What is the InChIKey of 5-(3-chloropyrrolidin-1-yl)sulfonyl-2-methyl-1,3-thiazole?
The InChIKey is OYPGPIDQPQBGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2S2/c1-6-10-4-8(14-6)15(12,13)11-3-2-7(9)5-11/h4,7H,2-3,5H2,1H3.
What are the key properties of 5-(3-chloropyrrolidin-1-yl)sulfonyl-2-methyl-1,3-thiazole?
5-(3-chloropyrrolidin-1-yl)sulfonyl-2-methyl-1,3-thiazole has a molecular weight of 266.77 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloropyrrolidin-1-yl)sulfonyl-2-methyl-1,3-thiazole is sourced from PubChem (CID 103415890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).