2-piperidin-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]ethanesulfonamide

C12H23N5O2S — CID 64531405

IUPAC2-piperidin-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]ethanesulfonamide
SMILESO=S(=O)(CCC1CCCCN1)NCCCc1ncn[nH]1
InChIInChI=1S/C12H23N5O2S/c18-20(19,9-6-11-4-1-2-7-13-11)16-8-3-5-12-14-10-15-17-12/h10-11,13,16H,1-9H2,(H,14,15,17)
InChIKeyKHOUMHROBONGKZ-UHFFFAOYSA-N
MW301.42 g/mol
LogP0.19
Rot. Bonds8

About 2-piperidin-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]ethanesulfonamide

2-piperidin-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]ethanesulfonamide (PubChem CID 64531405) has the molecular formula C12H23N5O2S and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-piperidin-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]ethanesulfonamide.

Molecular Properties

Compound Name2-piperidin-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]ethanesulfonamide
PubChem CID64531405
Molecular FormulaC12H23N5O2S
Molecular Weight301.42 g/mol
Exact Mass301.16
IUPAC Name2-piperidin-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]ethanesulfonamide
SMILESO=S(=O)(CCC1CCCCN1)NCCCc1ncn[nH]1
InChIInChI=1S/C12H23N5O2S/c18-20(19,9-6-11-4-1-2-7-13-11)16-8-3-5-12-14-10-15-17-12/h10-11,13,16H,1-9H2,(H,14,15,17)
InChIKeyKHOUMHROBONGKZ-UHFFFAOYSA-N
XLogP0.19
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-piperidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
CID 64531785
1-piperidin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]methanesulfonamide
CID 64531586
2-hydroxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]ethanesulfonamide
CID 79579379
N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexanesulfonamide
CID 64531690
3-(propylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propane-1-sulfonamide
CID 106068101
N-[2-(methanesulfonamido)ethyl]-2-piperidin-2-ylethanesulfonamide
CID 60863842
N-[2-(ethylsulfamoyl)ethyl]-2-piperidin-2-ylethanesulfonamide
CID 106339620
N-[(5-methylpyrazin-2-yl)methyl]-2-piperidin-2-ylethanesulfonamide
CID 62846320
N-(2-piperidin-2-ylethyl)propane-1-sulfonamide
CID 24703797
N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxane-4-sulfonamide
CID 64531284
N-(2-methoxyethyl)-2-piperidin-2-ylethanesulfonamide
CID 60865631
N-cyclopropyl-4-(2-piperidin-2-ylethylsulfonylamino)butanamide
CID 79381999

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]ethanesulfonamide?
The IUPAC name of 2-piperidin-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]ethanesulfonamide (CID 64531405) is 2-piperidin-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]ethanesulfonamide.
What is the SMILES notation for 2-piperidin-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]ethanesulfonamide?
The canonical SMILES for 2-piperidin-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]ethanesulfonamide is O=S(=O)(CCC1CCCCN1)NCCCc1ncn[nH]1.
What is the InChIKey of 2-piperidin-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]ethanesulfonamide?
The InChIKey is KHOUMHROBONGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S/c18-20(19,9-6-11-4-1-2-7-13-11)16-8-3-5-12-14-10-15-17-12/h10-11,13,16H,1-9H2,(H,14,15,17).
What are the key properties of 2-piperidin-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]ethanesulfonamide?
2-piperidin-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]ethanesulfonamide has a molecular weight of 301.42 g/mol, XLogP of 0.19, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]ethanesulfonamide is sourced from PubChem (CID 64531405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).