methyl 2-(thiophen-3-ylsulfamoyl)cyclopentane-1-carboxylate

C11H15NO4S2 — CID 103343173

IUPACmethyl 2-(thiophen-3-ylsulfamoyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)Nc1ccsc1
InChIInChI=1S/C11H15NO4S2/c1-16-11(13)9-3-2-4-10(9)18(14,15)12-8-5-6-17-7-8/h5-7,9-10,12H,2-4H2,1H3
InChIKeyDCKRNPRDJUHOIY-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.83
Rot. Bonds4

About methyl 2-(thiophen-3-ylsulfamoyl)cyclopentane-1-carboxylate

methyl 2-(thiophen-3-ylsulfamoyl)cyclopentane-1-carboxylate (PubChem CID 103343173) has the molecular formula C11H15NO4S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is methyl 2-(thiophen-3-ylsulfamoyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(thiophen-3-ylsulfamoyl)cyclopentane-1-carboxylate
PubChem CID103343173
Molecular FormulaC11H15NO4S2
Molecular Weight289.38 g/mol
Exact Mass289.04
IUPAC Namemethyl 2-(thiophen-3-ylsulfamoyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)Nc1ccsc1
InChIInChI=1S/C11H15NO4S2/c1-16-11(13)9-3-2-4-10(9)18(14,15)12-8-5-6-17-7-8/h5-7,9-10,12H,2-4H2,1H3
InChIKeyDCKRNPRDJUHOIY-UHFFFAOYSA-N
XLogP1.83
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(pyridin-4-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342142
methyl 2-[(4-methylsulfanylphenyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342250
methyl 2-[(2-fluorophenyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342191
methyl 2-(propan-2-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342116
methyl 2-[(5-methyl-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342272
methyl 2-[(6-methyl-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342271
methyl 2-[(6-chloro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343319
methyl 2-[(5-bromo-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342296
methyl 2-[(5-chloro-2-methylphenyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342269
methyl 2-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]cyclopentane-1-carboxylate
CID 103343265
methyl 2-[(2-chloro-4-fluorophenyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342312
methyl 2-[(2-bromo-5-chlorophenyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343259

Frequently Asked Questions

What is the IUPAC name of methyl 2-(thiophen-3-ylsulfamoyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-(thiophen-3-ylsulfamoyl)cyclopentane-1-carboxylate (CID 103343173) is methyl 2-(thiophen-3-ylsulfamoyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-(thiophen-3-ylsulfamoyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-(thiophen-3-ylsulfamoyl)cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)Nc1ccsc1.
What is the InChIKey of methyl 2-(thiophen-3-ylsulfamoyl)cyclopentane-1-carboxylate?
The InChIKey is DCKRNPRDJUHOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S2/c1-16-11(13)9-3-2-4-10(9)18(14,15)12-8-5-6-17-7-8/h5-7,9-10,12H,2-4H2,1H3.
What are the key properties of methyl 2-(thiophen-3-ylsulfamoyl)cyclopentane-1-carboxylate?
methyl 2-(thiophen-3-ylsulfamoyl)cyclopentane-1-carboxylate has a molecular weight of 289.38 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(thiophen-3-ylsulfamoyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 103343173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).