cycloheptyl 4-methyl-5-sulfamoylthiophene-3-carboxylate

C13H19NO4S2 — CID 79819218

IUPACcycloheptyl 4-methyl-5-sulfamoylthiophene-3-carboxylate
SMILESCc1c(C(=O)OC2CCCCCC2)csc1S(N)(=O)=O
InChIInChI=1S/C13H19NO4S2/c1-9-11(8-19-13(9)20(14,16)17)12(15)18-10-6-4-2-3-5-7-10/h8,10H,2-7H2,1H3,(H2,14,16,17)
InChIKeyGYUKDRUKRUFKSZ-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.58
Rot. Bonds3

About cycloheptyl 4-methyl-5-sulfamoylthiophene-3-carboxylate

cycloheptyl 4-methyl-5-sulfamoylthiophene-3-carboxylate (PubChem CID 79819218) has the molecular formula C13H19NO4S2 and a molecular weight of 317.43 g/mol. Its IUPAC name is cycloheptyl 4-methyl-5-sulfamoylthiophene-3-carboxylate.

Molecular Properties

Compound Namecycloheptyl 4-methyl-5-sulfamoylthiophene-3-carboxylate
PubChem CID79819218
Molecular FormulaC13H19NO4S2
Molecular Weight317.43 g/mol
Exact Mass317.08
IUPAC Namecycloheptyl 4-methyl-5-sulfamoylthiophene-3-carboxylate
SMILESCc1c(C(=O)OC2CCCCCC2)csc1S(N)(=O)=O
InChIInChI=1S/C13H19NO4S2/c1-9-11(8-19-13(9)20(14,16)17)12(15)18-10-6-4-2-3-5-7-10/h8,10H,2-7H2,1H3,(H2,14,16,17)
InChIKeyGYUKDRUKRUFKSZ-UHFFFAOYSA-N
XLogP2.58
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

oxolan-3-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate
CID 79818410
cyclohexylmethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate
CID 79818255
(2-methylcyclohexyl) 5-chlorosulfonyl-4-methylthiophene-3-carboxylate
CID 79807442
cyclohexyl 3-fluoro-4-methyl-5-sulfamoylbenzoate
CID 65381640
4-methylpentan-2-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate
CID 79819384
dicyclohexyl 2,5-dihydroxybenzene-1,4-dicarboxylate
CID 14121494
cyclobutyl 2-methyl-5-nitro-3-sulfamoylbenzoate
CID 65382101
cyclohexyl 5-chlorosulfonyl-2,3-dimethylbenzoate
CID 65395992
4-methyl-N-(oxan-2-ylmethyl)-5-sulfamoylthiophene-3-carboxamide
CID 79819213
(3-methoxy-3-methylbutyl) 4-methyl-5-sulfamoylthiophene-3-carboxylate
CID 106668745
2-cyclopropylethyl 5-chlorosulfonyl-4-methylthiophene-3-carboxylate
CID 106206949
N-cyclopropyl-N-(cyclopropylmethyl)-4-methyl-5-sulfamoylthiophene-3-carboxamide
CID 79818975

Frequently Asked Questions

What is the IUPAC name of cycloheptyl 4-methyl-5-sulfamoylthiophene-3-carboxylate?
The IUPAC name of cycloheptyl 4-methyl-5-sulfamoylthiophene-3-carboxylate (CID 79819218) is cycloheptyl 4-methyl-5-sulfamoylthiophene-3-carboxylate.
What is the SMILES notation for cycloheptyl 4-methyl-5-sulfamoylthiophene-3-carboxylate?
The canonical SMILES for cycloheptyl 4-methyl-5-sulfamoylthiophene-3-carboxylate is Cc1c(C(=O)OC2CCCCCC2)csc1S(N)(=O)=O.
What is the InChIKey of cycloheptyl 4-methyl-5-sulfamoylthiophene-3-carboxylate?
The InChIKey is GYUKDRUKRUFKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S2/c1-9-11(8-19-13(9)20(14,16)17)12(15)18-10-6-4-2-3-5-7-10/h8,10H,2-7H2,1H3,(H2,14,16,17).
What are the key properties of cycloheptyl 4-methyl-5-sulfamoylthiophene-3-carboxylate?
cycloheptyl 4-methyl-5-sulfamoylthiophene-3-carboxylate has a molecular weight of 317.43 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl 4-methyl-5-sulfamoylthiophene-3-carboxylate is sourced from PubChem (CID 79819218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).