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

C11H16N2O4S2 — CID 103847983

IUPACmethyl 4-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CN(S(=O)(=O)c2cnc(C)s2)CC1C
InChIInChI=1S/C11H16N2O4S2/c1-7-5-13(6-9(7)11(14)17-3)19(15,16)10-4-12-8(2)18-10/h4,7,9H,5-6H2,1-3H3
InChIKeyUUNWTGSAJUGMGE-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.88
Rot. Bonds3

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

methyl 4-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxylate (PubChem CID 103847983) has the molecular formula C11H16N2O4S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is methyl 4-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxylate
PubChem CID103847983
Molecular FormulaC11H16N2O4S2
Molecular Weight304.39 g/mol
Exact Mass304.06
IUPAC Namemethyl 4-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CN(S(=O)(=O)c2cnc(C)s2)CC1C
InChIInChI=1S/C11H16N2O4S2/c1-7-5-13(6-9(7)11(14)17-3)19(15,16)10-4-12-8(2)18-10/h4,7,9H,5-6H2,1-3H3
InChIKeyUUNWTGSAJUGMGE-UHFFFAOYSA-N
XLogP0.88
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3,4-diol
CID 104600170
methyl (2R)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylate
CID 103847980
5-(4-bromo-3-methylpiperidin-1-yl)sulfonyl-2-methyl-1,3-thiazole
CID 103416177
5-(3-chloropyrrolidin-1-yl)sulfonyl-2-methyl-1,3-thiazole
CID 103415890
1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-4-carboxylic acid
CID 103862581
methyl 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methylpyrrolidine-3-carboxylate
CID 103354633
ethyl 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-3-carboxylate
CID 103815305
1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-ol
CID 103847906
methyl 1-(3-hydroxyphenyl)sulfonyl-4-methylpyrrolidine-3-carboxylate
CID 81259237
(3S,4R)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-4-phenylpyrrolidin-3-amine
CID 120767173
2-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]azetidin-3-yl]oxyacetic acid
CID 103414427
(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 methyl 4-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxylate?
The IUPAC name of methyl 4-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxylate (CID 103847983) is methyl 4-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 4-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 4-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxylate is COC(=O)C1CN(S(=O)(=O)c2cnc(C)s2)CC1C.
What is the InChIKey of methyl 4-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxylate?
The InChIKey is UUNWTGSAJUGMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S2/c1-7-5-13(6-9(7)11(14)17-3)19(15,16)10-4-12-8(2)18-10/h4,7,9H,5-6H2,1-3H3.
What are the key properties of methyl 4-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxylate?
methyl 4-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 103847983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).