1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid

C10H17N5O4S — CID 64511039

IUPAC1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid
SMILESCN(Cc1ncn[nH]1)S(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C10H17N5O4S/c1-14(6-9-11-7-12-13-9)20(18,19)15-5-3-2-4-8(15)10(16)17/h7-8H,2-6H2,1H3,(H,16,17)(H,11,12,13)
InChIKeyVQKMPMZGRSQJSW-UHFFFAOYSA-N
MW303.34 g/mol
LogP-0.58
Rot. Bonds5

About 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid

1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid (PubChem CID 64511039) has the molecular formula C10H17N5O4S and a molecular weight of 303.34 g/mol. Its IUPAC name is 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid
PubChem CID64511039
Molecular FormulaC10H17N5O4S
Molecular Weight303.34 g/mol
Exact Mass303.10
IUPAC Name1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid
SMILESCN(Cc1ncn[nH]1)S(=O)(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C10H17N5O4S/c1-14(6-9-11-7-12-13-9)20(18,19)15-5-3-2-4-8(15)10(16)17/h7-8H,2-6H2,1H3,(H,16,17)(H,11,12,13)
InChIKeyVQKMPMZGRSQJSW-UHFFFAOYSA-N
XLogP-0.58
TPSA119.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]azepane-2-carboxylic acid
CID 64561965
1-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]piperidine-2-carboxylic acid
CID 64547804
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentanecarboxamide
CID 64510528
1-[methyl(pyridin-3-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60857794
1-[methyl(2-methylsulfonylethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 79849932
1-[3-hydroxypropyl(methyl)sulfamoyl]piperidine-2-carboxylic acid
CID 114230140
1-(dimethylsulfamoyl)azepane-2-carboxylic acid
CID 64561301
1-[methyl(3-methylbutyl)sulfamoyl]piperidine-2-carboxylic acid
CID 55028848
N,2,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)morpholine-4-sulfonamide
CID 64517457
1-(2,2-dimethylpropanoyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide
CID 64511827
1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]azepane-2-carboxylic acid
CID 64561967
N-methyl-1-(oxolan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
CID 64518418

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid (CID 64511039) is 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid is CN(Cc1ncn[nH]1)S(=O)(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid?
The InChIKey is VQKMPMZGRSQJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O4S/c1-14(6-9-11-7-12-13-9)20(18,19)15-5-3-2-4-8(15)10(16)17/h7-8H,2-6H2,1H3,(H,16,17)(H,11,12,13).
What are the key properties of 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid?
1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid has a molecular weight of 303.34 g/mol, XLogP of -0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 64511039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).