2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide

C10H18N6O3S — CID 61015789

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
SMILESCS(=O)(=O)N1CCC(NC(=O)Cn2cnc(N)n2)CC1
InChIInChI=1S/C10H18N6O3S/c1-20(18,19)16-4-2-8(3-5-16)13-9(17)6-15-7-12-10(11)14-15/h7-8H,2-6H2,1H3,(H2,11,14)(H,13,17)
InChIKeyXAIAGXQOVMLUFD-UHFFFAOYSA-N
MW302.36 g/mol
LogP-1.60
Rot. Bonds4

About 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide (PubChem CID 61015789) has the molecular formula C10H18N6O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
PubChem CID61015789
Molecular FormulaC10H18N6O3S
Molecular Weight302.36 g/mol
Exact Mass302.12
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
SMILESCS(=O)(=O)N1CCC(NC(=O)Cn2cnc(N)n2)CC1
InChIInChI=1S/C10H18N6O3S/c1-20(18,19)16-4-2-8(3-5-16)13-9(17)6-15-7-12-10(11)14-15/h7-8H,2-6H2,1H3,(H2,11,14)(H,13,17)
InChIKeyXAIAGXQOVMLUFD-UHFFFAOYSA-N
XLogP-1.60
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 5-1.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide (CID 61015789) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide is CS(=O)(=O)N1CCC(NC(=O)Cn2cnc(N)n2)CC1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
The InChIKey is XAIAGXQOVMLUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O3S/c1-20(18,19)16-4-2-8(3-5-16)13-9(17)6-15-7-12-10(11)14-15/h7-8H,2-6H2,1H3,(H2,11,14)(H,13,17).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide has a molecular weight of 302.36 g/mol, XLogP of -1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide is sourced from PubChem (CID 61015789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).