methyl 4-[(1-aminocycloheptyl)methylsulfamoyl]-2,5-dimethylfuran-3-carboxylate

C16H26N2O5S — CID 120875685

IUPACmethyl 4-[(1-aminocycloheptyl)methylsulfamoyl]-2,5-dimethylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)NCC1(N)CCCCCC1
InChIInChI=1S/C16H26N2O5S/c1-11-13(15(19)22-3)14(12(2)23-11)24(20,21)18-10-16(17)8-6-4-5-7-9-16/h18H,4-10,17H2,1-3H3
InChIKeyBQZPMRWZANOJHK-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.01
Rot. Bonds5

About methyl 4-[(1-aminocycloheptyl)methylsulfamoyl]-2,5-dimethylfuran-3-carboxylate

methyl 4-[(1-aminocycloheptyl)methylsulfamoyl]-2,5-dimethylfuran-3-carboxylate (PubChem CID 120875685) has the molecular formula C16H26N2O5S and a molecular weight of 358.46 g/mol. Its IUPAC name is methyl 4-[(1-aminocycloheptyl)methylsulfamoyl]-2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(1-aminocycloheptyl)methylsulfamoyl]-2,5-dimethylfuran-3-carboxylate
PubChem CID120875685
Molecular FormulaC16H26N2O5S
Molecular Weight358.46 g/mol
Exact Mass358.16
IUPAC Namemethyl 4-[(1-aminocycloheptyl)methylsulfamoyl]-2,5-dimethylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)NCC1(N)CCCCCC1
InChIInChI=1S/C16H26N2O5S/c1-11-13(15(19)22-3)14(12(2)23-11)24(20,21)18-10-16(17)8-6-4-5-7-9-16/h18H,4-10,17H2,1-3H3
InChIKeyBQZPMRWZANOJHK-UHFFFAOYSA-N
XLogP2.01
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 4-[(tert-butylamino)sulfonyl]-2,5-dimethyl-3-furoate
CID 2742994
Methyl 4-{[(cyclopropylmethyl)amino]sulfonyl}-2,5-dimethyl-3-furoate
CID 2809994
Methyl 4-{[cyclohexyl(methyl)amino]sulfonyl}-2,5-dimethyl-3-furoate
CID 2814176
Methyl 2,5-dimethyl-4-(piperidinosulfonyl)-3-furoate
CID 2742993
Methyl 2,5-dimethyl-4-(piperazine-1-sulfonyl)furan-3-carboxylate hydrochloride
CID 121629090
Methyl 4-(cyclododecylsulfamoyl)-2,5-dimethylfuran-3-carboxylate
CID 2809991
Methyl 4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate
CID 114384082
2,5-Dimethyl-4-(4,4,4-trifluorobutylsulfamoyl)furan-3-carboxylic acid
CID 115515782
2,5-Dimethyl-4-[[3-(trifluoromethyl)cyclohexyl]sulfamoyl]furan-3-carboxylic acid
CID 120337755
Methyl 4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylate;hydrochloride
CID 121629161
4-[(2,2-Difluorocyclohexyl)methylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 132346374
4-[(2,2-Difluorocyclopentyl)methylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 132346375

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-aminocycloheptyl)methylsulfamoyl]-2,5-dimethylfuran-3-carboxylate?
The IUPAC name of methyl 4-[(1-aminocycloheptyl)methylsulfamoyl]-2,5-dimethylfuran-3-carboxylate (CID 120875685) is methyl 4-[(1-aminocycloheptyl)methylsulfamoyl]-2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for methyl 4-[(1-aminocycloheptyl)methylsulfamoyl]-2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for methyl 4-[(1-aminocycloheptyl)methylsulfamoyl]-2,5-dimethylfuran-3-carboxylate is COC(=O)c1c(C)oc(C)c1S(=O)(=O)NCC1(N)CCCCCC1.
What is the InChIKey of methyl 4-[(1-aminocycloheptyl)methylsulfamoyl]-2,5-dimethylfuran-3-carboxylate?
The InChIKey is BQZPMRWZANOJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5S/c1-11-13(15(19)22-3)14(12(2)23-11)24(20,21)18-10-16(17)8-6-4-5-7-9-16/h18H,4-10,17H2,1-3H3.
What are the key properties of methyl 4-[(1-aminocycloheptyl)methylsulfamoyl]-2,5-dimethylfuran-3-carboxylate?
methyl 4-[(1-aminocycloheptyl)methylsulfamoyl]-2,5-dimethylfuran-3-carboxylate has a molecular weight of 358.46 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-aminocycloheptyl)methylsulfamoyl]-2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 120875685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).