N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-4-sulfonamide

C10H19N5O2S — CID 106303559

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-4-sulfonamide
SMILESCCn1cnnc1CNS(=O)(=O)C1CCNCC1
InChIInChI=1S/C10H19N5O2S/c1-2-15-8-12-14-10(15)7-13-18(16,17)9-3-5-11-6-4-9/h8-9,11,13H,2-7H2,1H3
InChIKeyHDURNGAPEASBHA-UHFFFAOYSA-N
MW273.36 g/mol
LogP-0.53
Rot. Bonds5

About N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-4-sulfonamide

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-4-sulfonamide (PubChem CID 106303559) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-4-sulfonamide
PubChem CID106303559
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-4-sulfonamide
SMILESCCn1cnnc1CNS(=O)(=O)C1CCNCC1
InChIInChI=1S/C10H19N5O2S/c1-2-15-8-12-14-10(15)7-13-18(16,17)9-3-5-11-6-4-9/h8-9,11,13H,2-7H2,1H3
InChIKeyHDURNGAPEASBHA-UHFFFAOYSA-N
XLogP-0.53
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-4-sulfonamide?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-4-sulfonamide (CID 106303559) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-4-sulfonamide.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-4-sulfonamide?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-4-sulfonamide is CCn1cnnc1CNS(=O)(=O)C1CCNCC1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-4-sulfonamide?
The InChIKey is HDURNGAPEASBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c1-2-15-8-12-14-10(15)7-13-18(16,17)9-3-5-11-6-4-9/h8-9,11,13H,2-7H2,1H3.
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-4-sulfonamide?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-4-sulfonamide has a molecular weight of 273.36 g/mol, XLogP of -0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-4-sulfonamide is sourced from PubChem (CID 106303559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).