cyclohexylmethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate

C13H19NO4S2 — CID 79818255

IUPACcyclohexylmethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate
SMILESCc1c(C(=O)OCC2CCCCC2)csc1S(N)(=O)=O
InChIInChI=1S/C13H19NO4S2/c1-9-11(8-19-13(9)20(14,16)17)12(15)18-7-10-5-3-2-4-6-10/h8,10H,2-7H2,1H3,(H2,14,16,17)
InChIKeyVFGSHQMIJHVMGS-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.44
Rot. Bonds4

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

cyclohexylmethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate (PubChem CID 79818255) has the molecular formula C13H19NO4S2 and a molecular weight of 317.43 g/mol. Its IUPAC name is cyclohexylmethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate.

Molecular Properties

Compound Namecyclohexylmethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate
PubChem CID79818255
Molecular FormulaC13H19NO4S2
Molecular Weight317.43 g/mol
Exact Mass317.08
IUPAC Namecyclohexylmethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate
SMILESCc1c(C(=O)OCC2CCCCC2)csc1S(N)(=O)=O
InChIInChI=1S/C13H19NO4S2/c1-9-11(8-19-13(9)20(14,16)17)12(15)18-7-10-5-3-2-4-6-10/h8,10H,2-7H2,1H3,(H2,14,16,17)
InChIKeyVFGSHQMIJHVMGS-UHFFFAOYSA-N
XLogP2.44
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cycloheptyl 4-methyl-5-sulfamoylthiophene-3-carboxylate
CID 79819218
2-cyclopropylethyl 5-chlorosulfonyl-4-methylthiophene-3-carboxylate
CID 106206949
oxolan-3-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate
CID 79818410
4-methylpentan-2-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate
CID 79819384
(3-methoxy-3-methylbutyl) 4-methyl-5-sulfamoylthiophene-3-carboxylate
CID 106668745
N-cyclopropyl-N-(cyclopropylmethyl)-4-methyl-5-sulfamoylthiophene-3-carboxamide
CID 79818975
4-methyl-N-(oxan-2-ylmethyl)-5-sulfamoylthiophene-3-carboxamide
CID 79819213
(2-methylcyclohexyl) 5-chlorosulfonyl-4-methylthiophene-3-carboxylate
CID 79807442
N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-5-sulfamoylthiophene-3-carboxamide
CID 81041961
cyclohexylmethyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679136
cyclohexylmethyl 4-amino-2-fluorobenzoate
CID 55125027
N-butyl-4-methyl-5-sulfamoylthiophene-3-carboxamide
CID 79819376

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate?
The IUPAC name of cyclohexylmethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate (CID 79818255) is cyclohexylmethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate.
What is the SMILES notation for cyclohexylmethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate?
The canonical SMILES for cyclohexylmethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate is Cc1c(C(=O)OCC2CCCCC2)csc1S(N)(=O)=O.
What is the InChIKey of cyclohexylmethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate?
The InChIKey is VFGSHQMIJHVMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S2/c1-9-11(8-19-13(9)20(14,16)17)12(15)18-7-10-5-3-2-4-6-10/h8,10H,2-7H2,1H3,(H2,14,16,17).
What are the key properties of cyclohexylmethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate?
cyclohexylmethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate has a molecular weight of 317.43 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate is sourced from PubChem (CID 79818255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).