methyl 3-[(1-aminocyclohexyl)methylsulfamoyl]-4-methylthiophene-2-carboxylate

C14H22N2O4S2 — CID 120874294

IUPACmethyl 3-[(1-aminocyclohexyl)methylsulfamoyl]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)NCC1(N)CCCCC1
InChIInChI=1S/C14H22N2O4S2/c1-10-8-21-11(13(17)20-2)12(10)22(18,19)16-9-14(15)6-4-3-5-7-14/h8,16H,3-7,9,15H2,1-2H3
InChIKeyIEXNJPLIAMSCCP-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.78
Rot. Bonds5

About methyl 3-[(1-aminocyclohexyl)methylsulfamoyl]-4-methylthiophene-2-carboxylate

methyl 3-[(1-aminocyclohexyl)methylsulfamoyl]-4-methylthiophene-2-carboxylate (PubChem CID 120874294) has the molecular formula C14H22N2O4S2 and a molecular weight of 346.47 g/mol. Its IUPAC name is methyl 3-[(1-aminocyclohexyl)methylsulfamoyl]-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(1-aminocyclohexyl)methylsulfamoyl]-4-methylthiophene-2-carboxylate
PubChem CID120874294
Molecular FormulaC14H22N2O4S2
Molecular Weight346.47 g/mol
Exact Mass346.10
IUPAC Namemethyl 3-[(1-aminocyclohexyl)methylsulfamoyl]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)NCC1(N)CCCCC1
InChIInChI=1S/C14H22N2O4S2/c1-10-8-21-11(13(17)20-2)12(10)22(18,19)16-9-14(15)6-4-3-5-7-14/h8,16H,3-7,9,15H2,1-2H3
InChIKeyIEXNJPLIAMSCCP-UHFFFAOYSA-N
XLogP1.78
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-methyl-3-[(1-methylcyclobutyl)sulfamoyl]thiophene-2-carboxylate
CID 102749299
methyl 4-[(1-aminocycloheptyl)methylsulfamoyl]-2,5-dimethylfuran-3-carboxylate
CID 120875685
methyl 3-[[1-(hydroxymethyl)cyclobutyl]sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102749359
methyl 3-[[2-(dimethylamino)-2-methylpropyl]sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748597
methyl 3-(carbamoylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 140994408
N-[(1-aminocyclohexyl)methyl]-2,4,6-trimethoxybenzenesulfonamide
CID 120874306
methyl 3-(2-ethylbutylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 102749364
methyl 3-(2-chloroprop-2-enylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 102749254
methyl 3-(but-3-ynylsulfamoyl)-4-methylthiophene-2-carboxylate
CID 102748829
methyl 4-[(1-aminocyclohexyl)methylsulfamoyl]benzoate;hydrochloride
CID 119958825
methyl 3-[(2-hydroxy-3-methylbutyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102749316
methyl 3-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748753

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-aminocyclohexyl)methylsulfamoyl]-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[(1-aminocyclohexyl)methylsulfamoyl]-4-methylthiophene-2-carboxylate (CID 120874294) is methyl 3-[(1-aminocyclohexyl)methylsulfamoyl]-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(1-aminocyclohexyl)methylsulfamoyl]-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(1-aminocyclohexyl)methylsulfamoyl]-4-methylthiophene-2-carboxylate is COC(=O)c1scc(C)c1S(=O)(=O)NCC1(N)CCCCC1.
What is the InChIKey of methyl 3-[(1-aminocyclohexyl)methylsulfamoyl]-4-methylthiophene-2-carboxylate?
The InChIKey is IEXNJPLIAMSCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S2/c1-10-8-21-11(13(17)20-2)12(10)22(18,19)16-9-14(15)6-4-3-5-7-14/h8,16H,3-7,9,15H2,1-2H3.
What are the key properties of methyl 3-[(1-aminocyclohexyl)methylsulfamoyl]-4-methylthiophene-2-carboxylate?
methyl 3-[(1-aminocyclohexyl)methylsulfamoyl]-4-methylthiophene-2-carboxylate has a molecular weight of 346.47 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-aminocyclohexyl)methylsulfamoyl]-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 120874294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).