1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-3-ol

C7H9ClN2O3S2 — CID 62941558

IUPAC1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-3-ol
SMILESO=S(=O)(c1cnc(Cl)s1)N1CCC(O)C1
InChIInChI=1S/C7H9ClN2O3S2/c8-7-9-3-6(14-7)15(12,13)10-2-1-5(11)4-10/h3,5,11H,1-2,4H2
InChIKeyRPUKROJHKTWPHP-UHFFFAOYSA-N
MW268.75 g/mol
LogP0.55
Rot. Bonds2

About 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-3-ol

1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-3-ol (PubChem CID 62941558) has the molecular formula C7H9ClN2O3S2 and a molecular weight of 268.75 g/mol. Its IUPAC name is 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-3-ol
PubChem CID62941558
Molecular FormulaC7H9ClN2O3S2
Molecular Weight268.75 g/mol
Exact Mass267.97
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-3-ol
SMILESO=S(=O)(c1cnc(Cl)s1)N1CCC(O)C1
InChIInChI=1S/C7H9ClN2O3S2/c8-7-9-3-6(14-7)15(12,13)10-2-1-5(11)4-10/h3,5,11H,1-2,4H2
InChIKeyRPUKROJHKTWPHP-UHFFFAOYSA-N
XLogP0.55
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-3-ol (CID 62941558) is 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-3-ol is O=S(=O)(c1cnc(Cl)s1)N1CCC(O)C1.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-3-ol?
The InChIKey is RPUKROJHKTWPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O3S2/c8-7-9-3-6(14-7)15(12,13)10-2-1-5(11)4-10/h3,5,11H,1-2,4H2.
What are the key properties of 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-3-ol?
1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-3-ol has a molecular weight of 268.75 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-3-ol is sourced from PubChem (CID 62941558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).