2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide

C9H17N5O2S — CID 54883349

IUPAC2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)NCc1ncn[nH]1
InChIInChI=1S/C9H17N5O2S/c1-8-4-2-3-5-14(8)17(15,16)12-6-9-10-7-11-13-9/h7-8,12H,2-6H2,1H3,(H,10,11,13)
InChIKeySVHWBHPSRXRPOI-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.01
Rot. Bonds4

About 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide

2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide (PubChem CID 54883349) has the molecular formula C9H17N5O2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide
PubChem CID54883349
Molecular FormulaC9H17N5O2S
Molecular Weight259.33 g/mol
Exact Mass259.11
IUPAC Name2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)NCc1ncn[nH]1
InChIInChI=1S/C9H17N5O2S/c1-8-4-2-3-5-14(8)17(15,16)12-6-9-10-7-11-13-9/h7-8,12H,2-6H2,1H3,(H,10,11,13)
InChIKeySVHWBHPSRXRPOI-UHFFFAOYSA-N
XLogP0.01
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide?
The IUPAC name of 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide (CID 54883349) is 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide?
The canonical SMILES for 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide is CC1CCCCN1S(=O)(=O)NCc1ncn[nH]1.
What is the InChIKey of 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide?
The InChIKey is SVHWBHPSRXRPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2S/c1-8-4-2-3-5-14(8)17(15,16)12-6-9-10-7-11-13-9/h7-8,12H,2-6H2,1H3,(H,10,11,13).
What are the key properties of 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide?
2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide has a molecular weight of 259.33 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 54883349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).