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

C11H19N5O4S — CID 64510946

IUPACmethyl 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)N(C)Cc2ncn[nH]2)CC1
InChIInChI=1S/C11H19N5O4S/c1-15(7-10-12-8-13-14-10)21(18,19)16-5-3-9(4-6-16)11(17)20-2/h8-9H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyDCTNPIRSQWDBSZ-UHFFFAOYSA-N
MW317.37 g/mol
LogP-0.63
Rot. Bonds5

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

methyl 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-4-carboxylate (PubChem CID 64510946) has the molecular formula C11H19N5O4S and a molecular weight of 317.37 g/mol. Its IUPAC name is methyl 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-4-carboxylate
PubChem CID64510946
Molecular FormulaC11H19N5O4S
Molecular Weight317.37 g/mol
Exact Mass317.12
IUPAC Namemethyl 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)N(C)Cc2ncn[nH]2)CC1
InChIInChI=1S/C11H19N5O4S/c1-15(7-10-12-8-13-14-10)21(18,19)16-5-3-9(4-6-16)11(17)20-2/h8-9H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyDCTNPIRSQWDBSZ-UHFFFAOYSA-N
XLogP-0.63
TPSA108.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethylsulfamoyl]piperidine-4-carboxylic acid
CID 60858974
1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-4-carboxylic acid
CID 60979025
methyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-4-carboxylate
CID 60981879
ethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-4-carboxylate
CID 60983708
ethyl 1-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)piperidine-3-carboxylate
CID 60983709
1-[(4-Methyl-1,2,4-triazol-3-yl)methylsulfamoyl]piperidine-4-carboxylic acid
CID 61004214
1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-3-carboxylic acid
CID 64510651
1-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]piperidine-4-carboxylic acid
CID 64510837
1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 64510842
1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-4-carboxylic acid
CID 64519068
N,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide
CID 64519575
methyl 1-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]piperidine-4-carboxylate
CID 64530501

Frequently Asked Questions

What is the IUPAC name of methyl 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-4-carboxylate (CID 64510946) is methyl 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-4-carboxylate is COC(=O)C1CCN(S(=O)(=O)N(C)Cc2ncn[nH]2)CC1.
What is the InChIKey of methyl 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-4-carboxylate?
The InChIKey is DCTNPIRSQWDBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O4S/c1-15(7-10-12-8-13-14-10)21(18,19)16-5-3-9(4-6-16)11(17)20-2/h8-9H,3-7H2,1-2H3,(H,12,13,14).
What are the key properties of methyl 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-4-carboxylate?
methyl 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-4-carboxylate has a molecular weight of 317.37 g/mol, XLogP of -0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 64510946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).