methyl 2-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]cyclopentane-1-carboxylate

C11H18N4O4S — CID 103343093

IUPACmethyl 2-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)N(C)Cc1ncn[nH]1
InChIInChI=1S/C11H18N4O4S/c1-15(6-10-12-7-13-14-10)20(17,18)9-5-3-4-8(9)11(16)19-2/h7-9H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyMINDZUSRIADNOJ-UHFFFAOYSA-N
MW302.36 g/mol
LogP-0.09
Rot. Bonds5

About methyl 2-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]cyclopentane-1-carboxylate

methyl 2-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]cyclopentane-1-carboxylate (PubChem CID 103343093) has the molecular formula C11H18N4O4S and a molecular weight of 302.36 g/mol. Its IUPAC name is methyl 2-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]cyclopentane-1-carboxylate
PubChem CID103343093
Molecular FormulaC11H18N4O4S
Molecular Weight302.36 g/mol
Exact Mass302.10
IUPAC Namemethyl 2-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)N(C)Cc1ncn[nH]1
InChIInChI=1S/C11H18N4O4S/c1-15(6-10-12-7-13-14-10)20(17,18)9-5-3-4-8(9)11(16)19-2/h7-9H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyMINDZUSRIADNOJ-UHFFFAOYSA-N
XLogP-0.09
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]sulfamoyl]cyclopentane-1-carboxylate
CID 103342854
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-sulfonamide
CID 64518227
methyl 2-[cyclobutyl(methyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343467
cis-methyl (1S,2S)-2-[methyl-[2-(4-methylphenoxy)ethyl]sulfamoyl]cyclopentane-1-carboxylate
CID 100602479
methyl 2-[methyl-[3-(methylamino)propyl]sulfamoyl]cyclopentane-1-carboxylate
CID 103343240
methyl 2-[methyl(pyridin-2-yl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342276
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentanecarboxamide
CID 64510528
1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 64511039
methyl 2-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]cyclohexane-1-carboxylate
CID 120875523
methyl 2-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343401
(2S,3S)-2-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-3-carboxamide
CID 129479148
(2R,3R)-2-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-3-carboxamide
CID 129479147

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]cyclopentane-1-carboxylate (CID 103343093) is methyl 2-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)N(C)Cc1ncn[nH]1.
What is the InChIKey of methyl 2-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]cyclopentane-1-carboxylate?
The InChIKey is MINDZUSRIADNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4S/c1-15(6-10-12-7-13-14-10)20(17,18)9-5-3-4-8(9)11(16)19-2/h7-9H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of methyl 2-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]cyclopentane-1-carboxylate?
methyl 2-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]cyclopentane-1-carboxylate has a molecular weight of 302.36 g/mol, XLogP of -0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 103343093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).