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

C12H18N2O4S2 — CID 120586279

IUPACmethyl 4-[(2-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NC2CCNC(C)C2)cs1
InChIInChI=1S/C12H18N2O4S2/c1-8-5-9(3-4-13-8)14-20(16,17)10-6-11(19-7-10)12(15)18-2/h6-9,13-14H,3-5H2,1-2H3
InChIKeyLGEBUHFGJSILQJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.95
Rot. Bonds4

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

methyl 4-[(2-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 120586279) has the molecular formula C12H18N2O4S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is methyl 4-[(2-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate
PubChem CID120586279
Molecular FormulaC12H18N2O4S2
Molecular Weight318.42 g/mol
Exact Mass318.07
IUPAC Namemethyl 4-[(2-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NC2CCNC(C)C2)cs1
InChIInChI=1S/C12H18N2O4S2/c1-8-5-9(3-4-13-8)14-20(16,17)10-6-11(19-7-10)12(15)18-2/h6-9,13-14H,3-5H2,1-2H3
InChIKeyLGEBUHFGJSILQJ-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(2-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate;hydrochloride
CID 120585943
methyl 2,5-dimethyl-4-[(2-methylpiperidin-4-yl)sulfamoyl]furan-3-carboxylate
CID 120875809
2-methoxy-5-[(2-methylpiperidin-4-yl)sulfamoyl]benzamide;hydrochloride
CID 120585858
3-fluoro-4-methoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 106995675
4-fluoro-3,5-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120586103
3-methoxy-N-(2-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 120586094
N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide
CID 106995654
3-N-(2-methylpiperidin-4-yl)benzene-1,3-disulfonamide
CID 106995777
4-fluoro-2,6-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 107328379
N-(2-methylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 106995719
N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzenesulfonamide
CID 120586143
methyl 4-[(4-methylpiperidin-4-yl)methylsulfamoyl]thiophene-2-carboxylate
CID 120719871

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 4-[(2-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate (CID 120586279) is methyl 4-[(2-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-[(2-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 4-[(2-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1cc(S(=O)(=O)NC2CCNC(C)C2)cs1.
What is the InChIKey of methyl 4-[(2-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is LGEBUHFGJSILQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S2/c1-8-5-9(3-4-13-8)14-20(16,17)10-6-11(19-7-10)12(15)18-2/h6-9,13-14H,3-5H2,1-2H3.
What are the key properties of methyl 4-[(2-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate?
methyl 4-[(2-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 318.42 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 120586279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).