2-cyclopropylethyl 5-chlorosulfonyl-4-methylthiophene-3-carboxylate

C11H13ClO4S2 — CID 106206949

IUPAC2-cyclopropylethyl 5-chlorosulfonyl-4-methylthiophene-3-carboxylate
SMILESCc1c(C(=O)OCCC2CC2)csc1S(=O)(=O)Cl
InChIInChI=1S/C11H13ClO4S2/c1-7-9(6-17-11(7)18(12,14)15)10(13)16-5-4-8-2-3-8/h6,8H,2-5H2,1H3
InChIKeyRANILHRAYHGNOV-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.94
Rot. Bonds5

About 2-cyclopropylethyl 5-chlorosulfonyl-4-methylthiophene-3-carboxylate

2-cyclopropylethyl 5-chlorosulfonyl-4-methylthiophene-3-carboxylate (PubChem CID 106206949) has the molecular formula C11H13ClO4S2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-cyclopropylethyl 5-chlorosulfonyl-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Name2-cyclopropylethyl 5-chlorosulfonyl-4-methylthiophene-3-carboxylate
PubChem CID106206949
Molecular FormulaC11H13ClO4S2
Molecular Weight308.81 g/mol
Exact Mass307.99
IUPAC Name2-cyclopropylethyl 5-chlorosulfonyl-4-methylthiophene-3-carboxylate
SMILESCc1c(C(=O)OCCC2CC2)csc1S(=O)(=O)Cl
InChIInChI=1S/C11H13ClO4S2/c1-7-9(6-17-11(7)18(12,14)15)10(13)16-5-4-8-2-3-8/h6,8H,2-5H2,1H3
InChIKeyRANILHRAYHGNOV-UHFFFAOYSA-N
XLogP2.94
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylethyl 5-chlorosulfonyl-4-methylthiophene-3-carboxylate?
The IUPAC name of 2-cyclopropylethyl 5-chlorosulfonyl-4-methylthiophene-3-carboxylate (CID 106206949) is 2-cyclopropylethyl 5-chlorosulfonyl-4-methylthiophene-3-carboxylate.
What is the SMILES notation for 2-cyclopropylethyl 5-chlorosulfonyl-4-methylthiophene-3-carboxylate?
The canonical SMILES for 2-cyclopropylethyl 5-chlorosulfonyl-4-methylthiophene-3-carboxylate is Cc1c(C(=O)OCCC2CC2)csc1S(=O)(=O)Cl.
What is the InChIKey of 2-cyclopropylethyl 5-chlorosulfonyl-4-methylthiophene-3-carboxylate?
The InChIKey is RANILHRAYHGNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO4S2/c1-7-9(6-17-11(7)18(12,14)15)10(13)16-5-4-8-2-3-8/h6,8H,2-5H2,1H3.
What are the key properties of 2-cyclopropylethyl 5-chlorosulfonyl-4-methylthiophene-3-carboxylate?
2-cyclopropylethyl 5-chlorosulfonyl-4-methylthiophene-3-carboxylate has a molecular weight of 308.81 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylethyl 5-chlorosulfonyl-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 106206949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).