methyl 5-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-1,3-thiazole-4-carboxylate

C11H17N3O4S2 — CID 120875277

IUPACmethyl 5-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1S(=O)(=O)NC1CCCC1CN
InChIInChI=1S/C11H17N3O4S2/c1-18-10(15)9-11(19-6-13-9)20(16,17)14-8-4-2-3-7(8)5-12/h6-8,14H,2-5,12H2,1H3
InChIKeyGGBVVEZHKHQVQN-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.34
Rot. Bonds5

About methyl 5-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-1,3-thiazole-4-carboxylate

methyl 5-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-1,3-thiazole-4-carboxylate (PubChem CID 120875277) has the molecular formula C11H17N3O4S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is methyl 5-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-1,3-thiazole-4-carboxylate
PubChem CID120875277
Molecular FormulaC11H17N3O4S2
Molecular Weight319.41 g/mol
Exact Mass319.07
IUPAC Namemethyl 5-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1S(=O)(=O)NC1CCCC1CN
InChIInChI=1S/C11H17N3O4S2/c1-18-10(15)9-11(19-6-13-9)20(16,17)14-8-4-2-3-7(8)5-12/h6-8,14H,2-5,12H2,1H3
InChIKeyGGBVVEZHKHQVQN-UHFFFAOYSA-N
XLogP0.34
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-[(2-methylsulfanylcyclopentyl)sulfamoyl]-1,3-thiazole-4-carboxylate
CID 104773053
methyl 5-(thiolan-3-ylsulfamoyl)-1,3-thiazole-4-carboxylate
CID 113451646
dimethyl 5-[[2-(aminomethyl)cyclohexyl]sulfamoyl]benzene-1,3-dicarboxylate;hydrochloride
CID 119986267
methyl 5-[(3-methoxycyclobutyl)sulfamoyl]-1,3-thiazole-4-carboxylate
CID 113451667
methyl 4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-3-methoxybenzoate
CID 120711044
methyl 4-[[(1R,2S)-2-(aminomethyl)cyclohexyl]sulfamoyl]-2-chlorobenzoate
CID 124687158
methyl 4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-2-methoxybenzoate
CID 120711172
N-[2-(aminomethyl)cyclopentyl]-4-methoxybenzenesulfonamide;hydrochloride
CID 119985790
N-[2-(aminomethyl)cyclopentyl]-4-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride
CID 119985813
methyl 5-(1,3-thiazol-5-ylmethylsulfamoyl)-1,3-thiazole-4-carboxylate
CID 113451668
methyl 2-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-6-fluorobenzoate
CID 119986529
methyl 5-chlorosulfonyl-1,3-thiazole-4-carboxylate
CID 15077125

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-1,3-thiazole-4-carboxylate (CID 120875277) is methyl 5-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-1,3-thiazole-4-carboxylate is COC(=O)c1ncsc1S(=O)(=O)NC1CCCC1CN.
What is the InChIKey of methyl 5-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-1,3-thiazole-4-carboxylate?
The InChIKey is GGBVVEZHKHQVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S2/c1-18-10(15)9-11(19-6-13-9)20(16,17)14-8-4-2-3-7(8)5-12/h6-8,14H,2-5,12H2,1H3.
What are the key properties of methyl 5-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-1,3-thiazole-4-carboxylate?
methyl 5-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-1,3-thiazole-4-carboxylate has a molecular weight of 319.41 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 120875277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).