methyl 3-[(1-cyclopropylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate

C14H20N2O4S2 — CID 18148661

IUPACmethyl 3-[(1-cyclopropylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C14H20N2O4S2/c1-20-14(17)13-12(6-9-21-13)22(18,19)15-10-4-7-16(8-5-10)11-2-3-11/h6,9-11,15H,2-5,7-8H2,1H3
InChIKeyJPJHYZBIGOZLQM-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.44
Rot. Bonds5

About methyl 3-[(1-cyclopropylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate

methyl 3-[(1-cyclopropylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 18148661) has the molecular formula C14H20N2O4S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is methyl 3-[(1-cyclopropylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(1-cyclopropylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate
PubChem CID18148661
Molecular FormulaC14H20N2O4S2
Molecular Weight344.46 g/mol
Exact Mass344.09
IUPAC Namemethyl 3-[(1-cyclopropylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C14H20N2O4S2/c1-20-14(17)13-12(6-9-21-13)22(18,19)15-10-4-7-16(8-5-10)11-2-3-11/h6,9-11,15H,2-5,7-8H2,1H3
InChIKeyJPJHYZBIGOZLQM-UHFFFAOYSA-N
XLogP1.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(2-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate;hydrochloride
CID 120585943
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylsulfamoyl)thiophene-2-carboxylic acid
CID 112732174
methyl 3-[[(1R,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]thiophene-2-carboxylate
CID 98193885
N-(1-cyclopropylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide
CID 18141546
3-[(1-propylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 60709073
3-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43609997
methyl 3-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]thiophene-2-carboxylate
CID 120722107
methyl 3-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]thiophene-2-carboxylate
CID 18148668
methyl 3-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxylate
CID 114680534
methyl 3-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate
CID 78836894
methyl 3-[(1-pyridin-4-ylpiperidin-4-yl)methylsulfamoyl]thiophene-2-carboxylate
CID 121108182
methyl 3-piperazin-1-ylsulfonylthiophene-2-carboxylate
CID 16646038

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-cyclopropylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(1-cyclopropylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate (CID 18148661) is methyl 3-[(1-cyclopropylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(1-cyclopropylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(1-cyclopropylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)NC1CCN(C2CC2)CC1.
What is the InChIKey of methyl 3-[(1-cyclopropylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is JPJHYZBIGOZLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S2/c1-20-14(17)13-12(6-9-21-13)22(18,19)15-10-4-7-16(8-5-10)11-2-3-11/h6,9-11,15H,2-5,7-8H2,1H3.
What are the key properties of methyl 3-[(1-cyclopropylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate?
methyl 3-[(1-cyclopropylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 344.46 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-cyclopropylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 18148661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).