methyl 4-[(4-methylpiperidin-4-yl)methylsulfamoyl]thiophene-2-carboxylate

C13H20N2O4S2 — CID 120719871

IUPACmethyl 4-[(4-methylpiperidin-4-yl)methylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCC2(C)CCNCC2)cs1
InChIInChI=1S/C13H20N2O4S2/c1-13(3-5-14-6-4-13)9-15-21(17,18)10-7-11(20-8-10)12(16)19-2/h7-8,14-15H,3-6,9H2,1-2H3
InChIKeyIKVQZYWNHHCMIJ-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.20
Rot. Bonds5

About methyl 4-[(4-methylpiperidin-4-yl)methylsulfamoyl]thiophene-2-carboxylate

methyl 4-[(4-methylpiperidin-4-yl)methylsulfamoyl]thiophene-2-carboxylate (PubChem CID 120719871) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is methyl 4-[(4-methylpiperidin-4-yl)methylsulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4-methylpiperidin-4-yl)methylsulfamoyl]thiophene-2-carboxylate
PubChem CID120719871
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC Namemethyl 4-[(4-methylpiperidin-4-yl)methylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCC2(C)CCNCC2)cs1
InChIInChI=1S/C13H20N2O4S2/c1-13(3-5-14-6-4-13)9-15-21(17,18)10-7-11(20-8-10)12(16)19-2/h7-8,14-15H,3-6,9H2,1-2H3
InChIKeyIKVQZYWNHHCMIJ-UHFFFAOYSA-N
XLogP1.20
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(4-methylpiperidin-4-yl)methylsulfamoyl]thiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-methylpiperidin-4-yl)methylsulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 4-[(4-methylpiperidin-4-yl)methylsulfamoyl]thiophene-2-carboxylate (CID 120719871) is methyl 4-[(4-methylpiperidin-4-yl)methylsulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-[(4-methylpiperidin-4-yl)methylsulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 4-[(4-methylpiperidin-4-yl)methylsulfamoyl]thiophene-2-carboxylate is COC(=O)c1cc(S(=O)(=O)NCC2(C)CCNCC2)cs1.
What is the InChIKey of methyl 4-[(4-methylpiperidin-4-yl)methylsulfamoyl]thiophene-2-carboxylate?
The InChIKey is IKVQZYWNHHCMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c1-13(3-5-14-6-4-13)9-15-21(17,18)10-7-11(20-8-10)12(16)19-2/h7-8,14-15H,3-6,9H2,1-2H3.
What are the key properties of methyl 4-[(4-methylpiperidin-4-yl)methylsulfamoyl]thiophene-2-carboxylate?
methyl 4-[(4-methylpiperidin-4-yl)methylsulfamoyl]thiophene-2-carboxylate has a molecular weight of 332.45 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-methylpiperidin-4-yl)methylsulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 120719871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).