methyl 3-[(2-methylpiperidin-3-yl)sulfamoyl]-1-benzothiophene-2-carboxylate

C16H20N2O4S2 — CID 120726741

IUPACmethyl 3-[(2-methylpiperidin-3-yl)sulfamoyl]-1-benzothiophene-2-carboxylate
SMILESCOC(=O)c1sc2ccccc2c1S(=O)(=O)NC1CCCNC1C
InChIInChI=1S/C16H20N2O4S2/c1-10-12(7-5-9-17-10)18-24(20,21)15-11-6-3-4-8-13(11)23-14(15)16(19)22-2/h3-4,6,8,10,12,17-18H,5,7,9H2,1-2H3
InChIKeyDPAOMVGEVJHXMX-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.11
Rot. Bonds4

About methyl 3-[(2-methylpiperidin-3-yl)sulfamoyl]-1-benzothiophene-2-carboxylate

methyl 3-[(2-methylpiperidin-3-yl)sulfamoyl]-1-benzothiophene-2-carboxylate (PubChem CID 120726741) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is methyl 3-[(2-methylpiperidin-3-yl)sulfamoyl]-1-benzothiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-methylpiperidin-3-yl)sulfamoyl]-1-benzothiophene-2-carboxylate
PubChem CID120726741
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC Namemethyl 3-[(2-methylpiperidin-3-yl)sulfamoyl]-1-benzothiophene-2-carboxylate
SMILESCOC(=O)c1sc2ccccc2c1S(=O)(=O)NC1CCCNC1C
InChIInChI=1S/C16H20N2O4S2/c1-10-12(7-5-9-17-10)18-24(20,21)15-11-6-3-4-8-13(11)23-14(15)16(19)22-2/h3-4,6,8,10,12,17-18H,5,7,9H2,1-2H3
InChIKeyDPAOMVGEVJHXMX-UHFFFAOYSA-N
XLogP2.11
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(pyrrolidin-2-ylmethylsulfamoyl)-1-benzothiophene-2-carboxylate
CID 119974414
methyl 3-(pyrrolidin-2-ylmethylsulfamoyl)-1-benzothiophene-2-carboxylate;hydrochloride
CID 119974413
dimethyl 2-[(2-methylpiperidin-3-yl)sulfamoyl]benzene-1,4-dicarboxylate;hydrochloride
CID 120726589
2,6-difluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695279
methyl 5-methyl-2-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 120726210
methyl 3-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)-1-benzothiophene-2-carboxylate
CID 120721719
methyl 3-piperidin-1-ylsulfonyl-1-benzothiophene-2-carboxylate
CID 20944590
methyl 3-(1-phenylethylsulfamoyl)-1-benzothiophene-2-carboxylate
CID 16832037
methyl 3-(1,4-diazepan-1-ylsulfonyl)-1-benzothiophene-2-carboxylate;hydrochloride
CID 119963499
5-methoxy-3-methyl-N-(2-methylpiperidin-3-yl)-1-benzothiophene-2-carboxamide
CID 120574129
(3S,4S)-1-[(2-methoxycarbonyl-1-benzothiophen-3-yl)sulfonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122104006
methyl 5-ethyl-4-[(2-methylpiperidin-3-yl)sulfamoyl]furan-2-carboxylate;hydrochloride
CID 120726214

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-methylpiperidin-3-yl)sulfamoyl]-1-benzothiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2-methylpiperidin-3-yl)sulfamoyl]-1-benzothiophene-2-carboxylate (CID 120726741) is methyl 3-[(2-methylpiperidin-3-yl)sulfamoyl]-1-benzothiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-methylpiperidin-3-yl)sulfamoyl]-1-benzothiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2-methylpiperidin-3-yl)sulfamoyl]-1-benzothiophene-2-carboxylate is COC(=O)c1sc2ccccc2c1S(=O)(=O)NC1CCCNC1C.
What is the InChIKey of methyl 3-[(2-methylpiperidin-3-yl)sulfamoyl]-1-benzothiophene-2-carboxylate?
The InChIKey is DPAOMVGEVJHXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-10-12(7-5-9-17-10)18-24(20,21)15-11-6-3-4-8-13(11)23-14(15)16(19)22-2/h3-4,6,8,10,12,17-18H,5,7,9H2,1-2H3.
What are the key properties of methyl 3-[(2-methylpiperidin-3-yl)sulfamoyl]-1-benzothiophene-2-carboxylate?
methyl 3-[(2-methylpiperidin-3-yl)sulfamoyl]-1-benzothiophene-2-carboxylate has a molecular weight of 368.48 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-methylpiperidin-3-yl)sulfamoyl]-1-benzothiophene-2-carboxylate is sourced from PubChem (CID 120726741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).