methyl 3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-2-methylbenzoate

C17H26N2O4S — CID 120607450

IUPACmethyl 3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-2-methylbenzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)NC2(CN)CCCCC2C)c1C
InChIInChI=1S/C17H26N2O4S/c1-12-7-4-5-10-17(12,11-18)19-24(21,22)15-9-6-8-14(13(15)2)16(20)23-3/h6,8-9,12,19H,4-5,7,10-11,18H2,1-3H3
InChIKeyOBPDFDHEPCEEGY-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.97
Rot. Bonds5

About methyl 3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-2-methylbenzoate

methyl 3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-2-methylbenzoate (PubChem CID 120607450) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is methyl 3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-2-methylbenzoate
PubChem CID120607450
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Namemethyl 3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-2-methylbenzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)NC2(CN)CCCCC2C)c1C
InChIInChI=1S/C17H26N2O4S/c1-12-7-4-5-10-17(12,11-18)19-24(21,22)15-9-6-8-14(13(15)2)16(20)23-3/h6,8-9,12,19H,4-5,7,10-11,18H2,1-3H3
InChIKeyOBPDFDHEPCEEGY-UHFFFAOYSA-N
XLogP1.97
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-2-methylbenzoate with MolForge

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Related Compounds

methyl 4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-5-methylfuran-2-carboxylate;hydrochloride
CID 120607171
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-nitrobenzenesulfonamide
CID 120607134
methyl 3-[(2-amino-1-cyclopentylethyl)sulfamoyl]-2-methylbenzoate
CID 120585227
methyl 2-[[1-(aminomethyl)-2-methylcyclohexyl]amino]pyridine-3-carboxylate
CID 115309040
N-[4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]naphthalen-1-yl]acetamide;hydrochloride
CID 120607255
4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide
CID 120607111
4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-N-methylbenzamide
CID 120607207
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-chloro-2-methylbenzamide
CID 107098315
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dimethoxybenzenesulfonamide
CID 120607480
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methoxythiophene-2-sulfonamide
CID 120607191
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-fluoro-3-methylbenzenesulfonamide;hydrochloride
CID 120607447
methyl 3-(3-aminopropylsulfamoyl)-2-methylbenzoate
CID 119962127

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-2-methylbenzoate?
The IUPAC name of methyl 3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-2-methylbenzoate (CID 120607450) is methyl 3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-2-methylbenzoate.
What is the SMILES notation for methyl 3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-2-methylbenzoate?
The canonical SMILES for methyl 3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-2-methylbenzoate is COC(=O)c1cccc(S(=O)(=O)NC2(CN)CCCCC2C)c1C.
What is the InChIKey of methyl 3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-2-methylbenzoate?
The InChIKey is OBPDFDHEPCEEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-12-7-4-5-10-17(12,11-18)19-24(21,22)15-9-6-8-14(13(15)2)16(20)23-3/h6,8-9,12,19H,4-5,7,10-11,18H2,1-3H3.
What are the key properties of methyl 3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-2-methylbenzoate?
methyl 3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-2-methylbenzoate has a molecular weight of 354.47 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-2-methylbenzoate is sourced from PubChem (CID 120607450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).