methyl 5-(3-methoxypyrrolidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate

C10H14N2O5S2 — CID 103531319

IUPACmethyl 5-(3-methoxypyrrolidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1S(=O)(=O)N1CCC(OC)C1
InChIInChI=1S/C10H14N2O5S2/c1-16-7-3-4-12(5-7)19(14,15)10-8(9(13)17-2)11-6-18-10/h6-7H,3-5H2,1-2H3
InChIKeyGRFNLVZNUYQFOW-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.34
Rot. Bonds4

About methyl 5-(3-methoxypyrrolidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate

methyl 5-(3-methoxypyrrolidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate (PubChem CID 103531319) has the molecular formula C10H14N2O5S2 and a molecular weight of 306.37 g/mol. Its IUPAC name is methyl 5-(3-methoxypyrrolidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-methoxypyrrolidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate
PubChem CID103531319
Molecular FormulaC10H14N2O5S2
Molecular Weight306.37 g/mol
Exact Mass306.03
IUPAC Namemethyl 5-(3-methoxypyrrolidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1S(=O)(=O)N1CCC(OC)C1
InChIInChI=1S/C10H14N2O5S2/c1-16-7-3-4-12(5-7)19(14,15)10-8(9(13)17-2)11-6-18-10/h6-7H,3-5H2,1-2H3
InChIKeyGRFNLVZNUYQFOW-UHFFFAOYSA-N
XLogP0.34
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-methoxypyrrolidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-(3-methoxypyrrolidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate (CID 103531319) is methyl 5-(3-methoxypyrrolidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-(3-methoxypyrrolidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-(3-methoxypyrrolidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate is COC(=O)c1ncsc1S(=O)(=O)N1CCC(OC)C1.
What is the InChIKey of methyl 5-(3-methoxypyrrolidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate?
The InChIKey is GRFNLVZNUYQFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S2/c1-16-7-3-4-12(5-7)19(14,15)10-8(9(13)17-2)11-6-18-10/h6-7H,3-5H2,1-2H3.
What are the key properties of methyl 5-(3-methoxypyrrolidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate?
methyl 5-(3-methoxypyrrolidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate has a molecular weight of 306.37 g/mol, XLogP of 0.34, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-methoxypyrrolidin-1-yl)sulfonyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 103531319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).