1-methylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide

C10H17N5O3S — CID 78927946

IUPAC1-methylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
SMILESCc1nc(NC(=O)C2CCN(S(C)(=O)=O)CC2)n[nH]1
InChIInChI=1S/C10H17N5O3S/c1-7-11-10(14-13-7)12-9(16)8-3-5-15(6-4-8)19(2,17)18/h8H,3-6H2,1-2H3,(H2,11,12,13,14,16)
InChIKeyDSMLBDARXKFYEG-UHFFFAOYSA-N
MW287.35 g/mol
LogP-0.28
Rot. Bonds3

About 1-methylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide

1-methylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide (PubChem CID 78927946) has the molecular formula C10H17N5O3S and a molecular weight of 287.35 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
PubChem CID78927946
Molecular FormulaC10H17N5O3S
Molecular Weight287.35 g/mol
Exact Mass287.11
IUPAC Name1-methylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
SMILESCc1nc(NC(=O)C2CCN(S(C)(=O)=O)CC2)n[nH]1
InChIInChI=1S/C10H17N5O3S/c1-7-11-10(14-13-7)12-9(16)8-3-5-15(6-4-8)19(2,17)18/h8H,3-6H2,1-2H3,(H2,11,12,13,14,16)
InChIKeyDSMLBDARXKFYEG-UHFFFAOYSA-N
XLogP-0.28
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide (CID 78927946) is 1-methylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide is Cc1nc(NC(=O)C2CCN(S(C)(=O)=O)CC2)n[nH]1.
What is the InChIKey of 1-methylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide?
The InChIKey is DSMLBDARXKFYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3S/c1-7-11-10(14-13-7)12-9(16)8-3-5-15(6-4-8)19(2,17)18/h8H,3-6H2,1-2H3,(H2,11,12,13,14,16).
What are the key properties of 1-methylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide?
1-methylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide has a molecular weight of 287.35 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 78927946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).