methyl 3-[(2-amino-1-cyclopentylethyl)sulfamoyl]-2-methylbenzoate

C16H24N2O4S — CID 120585227

IUPACmethyl 3-[(2-amino-1-cyclopentylethyl)sulfamoyl]-2-methylbenzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)NC(CN)C2CCCC2)c1C
InChIInChI=1S/C16H24N2O4S/c1-11-13(16(19)22-2)8-5-9-15(11)23(20,21)18-14(10-17)12-6-3-4-7-12/h5,8-9,12,14,18H,3-4,6-7,10,17H2,1-2H3
InChIKeyPSEIXFUBJLSQHK-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.58
Rot. Bonds6

About methyl 3-[(2-amino-1-cyclopentylethyl)sulfamoyl]-2-methylbenzoate

methyl 3-[(2-amino-1-cyclopentylethyl)sulfamoyl]-2-methylbenzoate (PubChem CID 120585227) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is methyl 3-[(2-amino-1-cyclopentylethyl)sulfamoyl]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[(2-amino-1-cyclopentylethyl)sulfamoyl]-2-methylbenzoate
PubChem CID120585227
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Namemethyl 3-[(2-amino-1-cyclopentylethyl)sulfamoyl]-2-methylbenzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)NC(CN)C2CCCC2)c1C
InChIInChI=1S/C16H24N2O4S/c1-11-13(16(19)22-2)8-5-9-15(11)23(20,21)18-14(10-17)12-6-3-4-7-12/h5,8-9,12,14,18H,3-4,6-7,10,17H2,1-2H3
InChIKeyPSEIXFUBJLSQHK-UHFFFAOYSA-N
XLogP1.58
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2-amino-1-cyclohexylethyl)sulfamoyl]benzoate;hydrochloride
CID 119983872
methyl 3-[(2-amino-1-cyclopentylethyl)sulfamoyl]-4-methylbenzoate
CID 120584848
methyl 4-[(2-amino-1-cyclopentylethyl)sulfamoyl]-3-methylbenzoate;hydrochloride
CID 120585033
methyl 4-[(2-amino-1-cyclopentylethyl)sulfamoyl]-2-methylbenzoate;hydrochloride
CID 120585325
methyl 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-methylbenzoate
CID 119983230
N-(2-amino-1-cyclopentylethyl)-2,3-dichlorobenzenesulfonamide
CID 106737809
N-(2-amino-1-cyclopentylethyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride
CID 120585153
methyl 2-[[(1R)-1-cyclopentylethyl]sulfamoyl]benzoate
CID 102920550
methyl 2-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoate
CID 102920549
methyl 3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-2-methylbenzoate
CID 120607450
N-(2-amino-1-cyclopentylethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 106737938
methyl 5-[(2-amino-1-cyclopentylethyl)sulfamoyl]-4-methoxythiophene-2-carboxylate
CID 120585239

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-amino-1-cyclopentylethyl)sulfamoyl]-2-methylbenzoate?
The IUPAC name of methyl 3-[(2-amino-1-cyclopentylethyl)sulfamoyl]-2-methylbenzoate (CID 120585227) is methyl 3-[(2-amino-1-cyclopentylethyl)sulfamoyl]-2-methylbenzoate.
What is the SMILES notation for methyl 3-[(2-amino-1-cyclopentylethyl)sulfamoyl]-2-methylbenzoate?
The canonical SMILES for methyl 3-[(2-amino-1-cyclopentylethyl)sulfamoyl]-2-methylbenzoate is COC(=O)c1cccc(S(=O)(=O)NC(CN)C2CCCC2)c1C.
What is the InChIKey of methyl 3-[(2-amino-1-cyclopentylethyl)sulfamoyl]-2-methylbenzoate?
The InChIKey is PSEIXFUBJLSQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-11-13(16(19)22-2)8-5-9-15(11)23(20,21)18-14(10-17)12-6-3-4-7-12/h5,8-9,12,14,18H,3-4,6-7,10,17H2,1-2H3.
What are the key properties of methyl 3-[(2-amino-1-cyclopentylethyl)sulfamoyl]-2-methylbenzoate?
methyl 3-[(2-amino-1-cyclopentylethyl)sulfamoyl]-2-methylbenzoate has a molecular weight of 340.45 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-amino-1-cyclopentylethyl)sulfamoyl]-2-methylbenzoate is sourced from PubChem (CID 120585227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).