methyl 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate

C10H13ClN2O4S2 — CID 43473956

IUPACmethyl 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1S(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C10H13ClN2O4S2/c1-6-9(18-10(11)12-6)19(15,16)13-5-3-4-7(13)8(14)17-2/h7H,3-5H2,1-2H3
InChIKeyFHMKZJBCMXAWSE-UHFFFAOYSA-N
MW324.81 g/mol
LogP1.43
Rot. Bonds3

About methyl 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate

methyl 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate (PubChem CID 43473956) has the molecular formula C10H13ClN2O4S2 and a molecular weight of 324.81 g/mol. Its IUPAC name is methyl 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate
PubChem CID43473956
Molecular FormulaC10H13ClN2O4S2
Molecular Weight324.81 g/mol
Exact Mass324.00
IUPAC Namemethyl 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1S(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C10H13ClN2O4S2/c1-6-9(18-10(11)12-6)19(15,16)13-5-3-4-7(13)8(14)17-2/h7H,3-5H2,1-2H3
InChIKeyFHMKZJBCMXAWSE-UHFFFAOYSA-N
XLogP1.43
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate (CID 43473956) is methyl 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1S(=O)(=O)c1sc(Cl)nc1C.
What is the InChIKey of methyl 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate?
The InChIKey is FHMKZJBCMXAWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O4S2/c1-6-9(18-10(11)12-6)19(15,16)13-5-3-4-7(13)8(14)17-2/h7H,3-5H2,1-2H3.
What are the key properties of methyl 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate?
methyl 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate has a molecular weight of 324.81 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 43473956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).