methyl 4-methyl-5-(piperidin-4-ylsulfamoyl)thiophene-2-carboxylate

C12H18N2O4S2 — CID 69034720

IUPACmethyl 4-methyl-5-(piperidin-4-ylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1cc(C)c(S(=O)(=O)NC2CCNCC2)s1
InChIInChI=1S/C12H18N2O4S2/c1-8-7-10(11(15)18-2)19-12(8)20(16,17)14-9-3-5-13-6-4-9/h7,9,13-14H,3-6H2,1-2H3
InChIKeySLIMZRJYBCPHHM-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.87
Rot. Bonds4

About methyl 4-methyl-5-(piperidin-4-ylsulfamoyl)thiophene-2-carboxylate

methyl 4-methyl-5-(piperidin-4-ylsulfamoyl)thiophene-2-carboxylate (PubChem CID 69034720) has the molecular formula C12H18N2O4S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is methyl 4-methyl-5-(piperidin-4-ylsulfamoyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-5-(piperidin-4-ylsulfamoyl)thiophene-2-carboxylate
PubChem CID69034720
Molecular FormulaC12H18N2O4S2
Molecular Weight318.42 g/mol
Exact Mass318.07
IUPAC Namemethyl 4-methyl-5-(piperidin-4-ylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1cc(C)c(S(=O)(=O)NC2CCNCC2)s1
InChIInChI=1S/C12H18N2O4S2/c1-8-7-10(11(15)18-2)19-12(8)20(16,17)14-9-3-5-13-6-4-9/h7,9,13-14H,3-6H2,1-2H3
InChIKeySLIMZRJYBCPHHM-UHFFFAOYSA-N
XLogP0.87
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-methoxy-5-(piperidin-4-ylsulfamoyl)thiophene-2-carboxylate;hydrochloride
CID 119960673
methyl 4-chloro-2-(piperidin-4-ylsulfamoyl)benzoate
CID 119960838
methyl 4-chloro-3-(piperidin-4-ylsulfamoyl)benzoate
CID 43603231
methyl 3-methoxy-4-(piperidin-4-ylsulfamoyl)benzoate
CID 120706280
ethyl 5-(piperidin-4-ylsulfamoyl)-1-benzothiophene-2-carboxylate
CID 120998917
4-fluoro-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 107326148
4-methoxy-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 167945506
methyl 5-chlorosulfonyl-4-methylthiophene-2-carboxylate;methyl 4-methyl-5-sulfamoylthiophene-2-carboxylate
CID 158539883
5-(cyclopropylmethylsulfamoyl)-4-methylthiophene-2-carboxylic acid
CID 71196416
methyl 4-methyl-3-(pyrrolidin-3-ylsulfamoyl)thiophene-2-carboxylate
CID 120874655
methyl 5-bromo-4-[(4-hydroxycyclohexyl)sulfamoyl]thiophene-2-carboxylate
CID 43428154
methyl 4-methyl-3-(pyrrolidin-3-ylsulfamoyl)thiophene-2-carboxylate;hydrochloride
CID 120874654

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-5-(piperidin-4-ylsulfamoyl)thiophene-2-carboxylate?
The IUPAC name of methyl 4-methyl-5-(piperidin-4-ylsulfamoyl)thiophene-2-carboxylate (CID 69034720) is methyl 4-methyl-5-(piperidin-4-ylsulfamoyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-5-(piperidin-4-ylsulfamoyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 4-methyl-5-(piperidin-4-ylsulfamoyl)thiophene-2-carboxylate is COC(=O)c1cc(C)c(S(=O)(=O)NC2CCNCC2)s1.
What is the InChIKey of methyl 4-methyl-5-(piperidin-4-ylsulfamoyl)thiophene-2-carboxylate?
The InChIKey is SLIMZRJYBCPHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S2/c1-8-7-10(11(15)18-2)19-12(8)20(16,17)14-9-3-5-13-6-4-9/h7,9,13-14H,3-6H2,1-2H3.
What are the key properties of methyl 4-methyl-5-(piperidin-4-ylsulfamoyl)thiophene-2-carboxylate?
methyl 4-methyl-5-(piperidin-4-ylsulfamoyl)thiophene-2-carboxylate has a molecular weight of 318.42 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-5-(piperidin-4-ylsulfamoyl)thiophene-2-carboxylate is sourced from PubChem (CID 69034720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).