2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid

C11H18N4O4S — CID 103343090

IUPAC2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid
SMILESCc1nc(CN(C)S(=O)(=O)C2CCCC2C(=O)O)n[nH]1
InChIInChI=1S/C11H18N4O4S/c1-7-12-10(14-13-7)6-15(2)20(18,19)9-5-3-4-8(9)11(16)17/h8-9H,3-6H2,1-2H3,(H,16,17)(H,12,13,14)
InChIKeyZQQKBJLHDKTGCV-UHFFFAOYSA-N
MW302.36 g/mol
LogP0.13
Rot. Bonds5

About 2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid

2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103343090) has the molecular formula C11H18N4O4S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid
PubChem CID103343090
Molecular FormulaC11H18N4O4S
Molecular Weight302.36 g/mol
Exact Mass302.10
IUPAC Name2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid
SMILESCc1nc(CN(C)S(=O)(=O)C2CCCC2C(=O)O)n[nH]1
InChIInChI=1S/C11H18N4O4S/c1-7-12-10(14-13-7)6-15(2)20(18,19)9-5-3-4-8(9)11(16)17/h8-9H,3-6H2,1-2H3,(H,16,17)(H,12,13,14)
InChIKeyZQQKBJLHDKTGCV-UHFFFAOYSA-N
XLogP0.13
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]piperidine-3-carboxylic acid
CID 64510644
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide
CID 64512501
2-[methyl-[(1-methylimidazol-2-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid
CID 103342672
2-[(2-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103342452
2-[(5-bromothiophen-3-yl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103342818
2-[methyl-[1-(5-methylthiophen-2-yl)ethyl]sulfamoyl]cyclopentane-1-carboxylic acid
CID 103342665
2-[2-(cyclopropylmethoxy)ethyl-methylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103343234
methyl 2-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343093
methyl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]sulfamoyl]cyclopentane-1-carboxylate
CID 103342854
3-[[tert-butylsulfamoyl(methyl)amino]methyl]-5-methyl-1H-1,2,4-triazole
CID 114810130
(2S)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide
CID 103814748
methyl 2-[benzyl(methyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342230

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid (CID 103343090) is 2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid is Cc1nc(CN(C)S(=O)(=O)C2CCCC2C(=O)O)n[nH]1.
What is the InChIKey of 2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is ZQQKBJLHDKTGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4S/c1-7-12-10(14-13-7)6-15(2)20(18,19)9-5-3-4-8(9)11(16)17/h8-9H,3-6H2,1-2H3,(H,16,17)(H,12,13,14).
What are the key properties of 2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid?
2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 302.36 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103343090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).