3-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide

C11H21N5O2S — CID 56802729

IUPAC3-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide
SMILESNS(=O)(=O)CCCN1CCCCC1Cn1cncn1
InChIInChI=1S/C11H21N5O2S/c12-19(17,18)7-3-6-15-5-2-1-4-11(15)8-16-10-13-9-14-16/h9-11H,1-8H2,(H2,12,17,18)
InChIKeyZSCYVRFPUWUNLG-UHFFFAOYSA-N
MW287.39 g/mol
LogP-0.19
Rot. Bonds6

About 3-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide

3-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide (PubChem CID 56802729) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is 3-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide
PubChem CID56802729
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC Name3-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide
SMILESNS(=O)(=O)CCCN1CCCCC1Cn1cncn1
InChIInChI=1S/C11H21N5O2S/c12-19(17,18)7-3-6-15-5-2-1-4-11(15)8-16-10-13-9-14-16/h9-11H,1-8H2,(H2,12,17,18)
InChIKeyZSCYVRFPUWUNLG-UHFFFAOYSA-N
XLogP-0.19
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide?
The IUPAC name of 3-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide (CID 56802729) is 3-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide.
What is the SMILES notation for 3-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide?
The canonical SMILES for 3-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide is NS(=O)(=O)CCCN1CCCCC1Cn1cncn1.
What is the InChIKey of 3-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide?
The InChIKey is ZSCYVRFPUWUNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c12-19(17,18)7-3-6-15-5-2-1-4-11(15)8-16-10-13-9-14-16/h9-11H,1-8H2,(H2,12,17,18).
What are the key properties of 3-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide?
3-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of -0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide is sourced from PubChem (CID 56802729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).