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

C10H17N5O3S — CID 60767884

IUPAC1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCCN(C(=O)CCn2cncn2)C1
InChIInChI=1S/C10H17N5O3S/c11-19(17,18)9-2-1-4-14(6-9)10(16)3-5-15-8-12-7-13-15/h7-9H,1-6H2,(H2,11,17,18)
InChIKeyGPNZXEINESBCRN-UHFFFAOYSA-N
MW287.34 g/mol
LogP-1.05
Rot. Bonds4

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

1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-3-sulfonamide (PubChem CID 60767884) has the molecular formula C10H17N5O3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-3-sulfonamide.

Molecular Properties

Compound Name1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-3-sulfonamide
PubChem CID60767884
Molecular FormulaC10H17N5O3S
Molecular Weight287.34 g/mol
Exact Mass287.11
IUPAC Name1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCCN(C(=O)CCn2cncn2)C1
InChIInChI=1S/C10H17N5O3S/c11-19(17,18)9-2-1-4-14(6-9)10(16)3-5-15-8-12-7-13-15/h7-9H,1-6H2,(H2,11,17,18)
InChIKeyGPNZXEINESBCRN-UHFFFAOYSA-N
XLogP-1.05
TPSA111.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-[[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 53506150
3-Cyclopentylsulfonyl-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 53626825
(1-Propylsulfonylpiperidin-3-yl)-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 56352711
N-[1-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]ethanesulfonamide
CID 61108452
1-[2-(1,2,4-Triazol-1-yl)acetyl]piperidine-3-sulfonamide
CID 61128287
N-(2-sulfamoylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 61130858
4-[3-(1,2,4-Triazol-1-yl)propanoyl]piperazine-1-sulfonamide
CID 61130895
N-(3-sulfamoylpropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 61132863
2-Propylsulfonyl-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 72143017
2-Propylsulfonyl-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone
CID 72143024

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-3-sulfonamide?
The IUPAC name of 1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-3-sulfonamide (CID 60767884) is 1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-3-sulfonamide.
What is the SMILES notation for 1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-3-sulfonamide?
The canonical SMILES for 1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-3-sulfonamide is NS(=O)(=O)C1CCCN(C(=O)CCn2cncn2)C1.
What is the InChIKey of 1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-3-sulfonamide?
The InChIKey is GPNZXEINESBCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3S/c11-19(17,18)9-2-1-4-14(6-9)10(16)3-5-15-8-12-7-13-15/h7-9H,1-6H2,(H2,11,17,18).
What are the key properties of 1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-3-sulfonamide?
1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-3-sulfonamide has a molecular weight of 287.34 g/mol, XLogP of -1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-3-sulfonamide is sourced from PubChem (CID 60767884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).