1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-sulfonamide

C9H15N5O3S — CID 61128287

IUPAC1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCCN(C(=O)Cn2cncn2)C1
InChIInChI=1S/C9H15N5O3S/c10-18(16,17)8-2-1-3-13(4-8)9(15)5-14-7-11-6-12-14/h6-8H,1-5H2,(H2,10,16,17)
InChIKeyOBSHPOYDJONOJZ-UHFFFAOYSA-N
MW273.32 g/mol
LogP-1.44
Rot. Bonds3

About 1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-sulfonamide

1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-sulfonamide (PubChem CID 61128287) has the molecular formula C9H15N5O3S and a molecular weight of 273.32 g/mol. Its IUPAC name is 1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-sulfonamide.

Molecular Properties

Compound Name1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-sulfonamide
PubChem CID61128287
Molecular FormulaC9H15N5O3S
Molecular Weight273.32 g/mol
Exact Mass273.09
IUPAC Name1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCCN(C(=O)Cn2cncn2)C1
InChIInChI=1S/C9H15N5O3S/c10-18(16,17)8-2-1-3-13(4-8)9(15)5-14-7-11-6-12-14/h6-8H,1-5H2,(H2,10,16,17)
InChIKeyOBSHPOYDJONOJZ-UHFFFAOYSA-N
XLogP-1.44
TPSA111.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 5-1.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 46957626
1-(4-Methylsulfonylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 47187150
N-(1-methylsulfonylpiperidin-3-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 47937369
1-(4-Ethylsulfonylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone
CID 49600250
1-(ethylsulfonyl)-4-[4-(1H-1,2,4-triazol-1-yl)butanoyl]piperazine
CID 49618639
1-(4-Ethylsulfonylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 49618652
3-Cyclopentylsulfonyl-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 53626825
2-(3-Amino-1,2,4-triazol-1-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 54902133
1-[3-(1,2,4-Triazol-1-yl)propanoyl]piperidine-3-sulfonamide
CID 60767884
2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 61015789
N-[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]methanesulfonamide
CID 61105162
N-[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]methanesulfonamide
CID 61106034

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-sulfonamide?
The IUPAC name of 1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-sulfonamide (CID 61128287) is 1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-sulfonamide.
What is the SMILES notation for 1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-sulfonamide?
The canonical SMILES for 1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-sulfonamide is NS(=O)(=O)C1CCCN(C(=O)Cn2cncn2)C1.
What is the InChIKey of 1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-sulfonamide?
The InChIKey is OBSHPOYDJONOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3S/c10-18(16,17)8-2-1-3-13(4-8)9(15)5-14-7-11-6-12-14/h6-8H,1-5H2,(H2,10,16,17).
What are the key properties of 1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-sulfonamide?
1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-sulfonamide has a molecular weight of 273.32 g/mol, XLogP of -1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-sulfonamide is sourced from PubChem (CID 61128287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).