4-methylpentan-2-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate

C12H19NO4S2 — CID 79819384

IUPAC4-methylpentan-2-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate
SMILESCc1c(C(=O)OC(C)CC(C)C)csc1S(N)(=O)=O
InChIInChI=1S/C12H19NO4S2/c1-7(2)5-8(3)17-11(14)10-6-18-12(9(10)4)19(13,15)16/h6-8H,5H2,1-4H3,(H2,13,15,16)
InChIKeyZWNHZIIRCSIKSB-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.30
Rot. Bonds5

About 4-methylpentan-2-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate

4-methylpentan-2-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate (PubChem CID 79819384) has the molecular formula C12H19NO4S2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-methylpentan-2-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate.

Molecular Properties

Compound Name4-methylpentan-2-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate
PubChem CID79819384
Molecular FormulaC12H19NO4S2
Molecular Weight305.42 g/mol
Exact Mass305.08
IUPAC Name4-methylpentan-2-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate
SMILESCc1c(C(=O)OC(C)CC(C)C)csc1S(N)(=O)=O
InChIInChI=1S/C12H19NO4S2/c1-7(2)5-8(3)17-11(14)10-6-18-12(9(10)4)19(13,15)16/h6-8H,5H2,1-4H3,(H2,13,15,16)
InChIKeyZWNHZIIRCSIKSB-UHFFFAOYSA-N
XLogP2.30
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-propan-2-yloxyethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate
CID 79818645
N-ethyl-4-methyl-N-(2-methylpropyl)-5-sulfamoylthiophene-3-carboxamide
CID 79818559
4-methylpentan-2-yl 5-sulfamoylthiophene-3-carboxylate
CID 65382673
4-methylpentan-2-yl 2-fluoro-3-methyl-5-sulfamoylbenzoate
CID 81479999
4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylthiophene-3-carboxamide
CID 79818480
(3-methoxy-3-methylbutyl) 4-methyl-5-sulfamoylthiophene-3-carboxylate
CID 106668745
cyclohexylmethyl 4-methyl-5-sulfamoylthiophene-3-carboxylate
CID 79818255
4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-5-sulfamoylthiophene-3-carboxamide
CID 102915529
cycloheptyl 4-methyl-5-sulfamoylthiophene-3-carboxylate
CID 79819218
N-butyl-4-methyl-5-sulfamoylthiophene-3-carboxamide
CID 79819376
N-(3,3-dimethylbutan-2-yl)-4-methyl-5-sulfamoylthiophene-3-carboxamide
CID 104830396
4-methylpentan-2-yl 2-bromo-5-fluoro-3-sulfamoylbenzoate
CID 65380038

Frequently Asked Questions

What is the IUPAC name of 4-methylpentan-2-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate?
The IUPAC name of 4-methylpentan-2-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate (CID 79819384) is 4-methylpentan-2-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate.
What is the SMILES notation for 4-methylpentan-2-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate?
The canonical SMILES for 4-methylpentan-2-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate is Cc1c(C(=O)OC(C)CC(C)C)csc1S(N)(=O)=O.
What is the InChIKey of 4-methylpentan-2-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate?
The InChIKey is ZWNHZIIRCSIKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S2/c1-7(2)5-8(3)17-11(14)10-6-18-12(9(10)4)19(13,15)16/h6-8H,5H2,1-4H3,(H2,13,15,16).
What are the key properties of 4-methylpentan-2-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate?
4-methylpentan-2-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate has a molecular weight of 305.42 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentan-2-yl 4-methyl-5-sulfamoylthiophene-3-carboxylate is sourced from PubChem (CID 79819384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).