3-(4-ethyl-1,2,4-triazol-3-yl)-N-(2-methoxyethyl)-N-methylpiperidine-1-sulfonamide

C13H25N5O3S — CID 75420427

IUPAC3-(4-ethyl-1,2,4-triazol-3-yl)-N-(2-methoxyethyl)-N-methylpiperidine-1-sulfonamide
SMILESCCn1cnnc1C1CCCN(S(=O)(=O)N(C)CCOC)C1
InChIInChI=1S/C13H25N5O3S/c1-4-17-11-14-15-13(17)12-6-5-7-18(10-12)22(19,20)16(2)8-9-21-3/h11-12H,4-10H2,1-3H3
InChIKeyPQXLRGHBHFPSKA-UHFFFAOYSA-N
MW331.44 g/mol
LogP0.30
Rot. Bonds7

About 3-(4-ethyl-1,2,4-triazol-3-yl)-N-(2-methoxyethyl)-N-methylpiperidine-1-sulfonamide

3-(4-ethyl-1,2,4-triazol-3-yl)-N-(2-methoxyethyl)-N-methylpiperidine-1-sulfonamide (PubChem CID 75420427) has the molecular formula C13H25N5O3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 3-(4-ethyl-1,2,4-triazol-3-yl)-N-(2-methoxyethyl)-N-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(4-ethyl-1,2,4-triazol-3-yl)-N-(2-methoxyethyl)-N-methylpiperidine-1-sulfonamide
PubChem CID75420427
Molecular FormulaC13H25N5O3S
Molecular Weight331.44 g/mol
Exact Mass331.17
IUPAC Name3-(4-ethyl-1,2,4-triazol-3-yl)-N-(2-methoxyethyl)-N-methylpiperidine-1-sulfonamide
SMILESCCn1cnnc1C1CCCN(S(=O)(=O)N(C)CCOC)C1
InChIInChI=1S/C13H25N5O3S/c1-4-17-11-14-15-13(17)12-6-5-7-18(10-12)22(19,20)16(2)8-9-21-3/h11-12H,4-10H2,1-3H3
InChIKeyPQXLRGHBHFPSKA-UHFFFAOYSA-N
XLogP0.30
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-1,2,4-triazol-3-yl)-N-(2-methoxyethyl)-N-methylpiperidine-1-sulfonamide?
The IUPAC name of 3-(4-ethyl-1,2,4-triazol-3-yl)-N-(2-methoxyethyl)-N-methylpiperidine-1-sulfonamide (CID 75420427) is 3-(4-ethyl-1,2,4-triazol-3-yl)-N-(2-methoxyethyl)-N-methylpiperidine-1-sulfonamide.
What is the SMILES notation for 3-(4-ethyl-1,2,4-triazol-3-yl)-N-(2-methoxyethyl)-N-methylpiperidine-1-sulfonamide?
The canonical SMILES for 3-(4-ethyl-1,2,4-triazol-3-yl)-N-(2-methoxyethyl)-N-methylpiperidine-1-sulfonamide is CCn1cnnc1C1CCCN(S(=O)(=O)N(C)CCOC)C1.
What is the InChIKey of 3-(4-ethyl-1,2,4-triazol-3-yl)-N-(2-methoxyethyl)-N-methylpiperidine-1-sulfonamide?
The InChIKey is PQXLRGHBHFPSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O3S/c1-4-17-11-14-15-13(17)12-6-5-7-18(10-12)22(19,20)16(2)8-9-21-3/h11-12H,4-10H2,1-3H3.
What are the key properties of 3-(4-ethyl-1,2,4-triazol-3-yl)-N-(2-methoxyethyl)-N-methylpiperidine-1-sulfonamide?
3-(4-ethyl-1,2,4-triazol-3-yl)-N-(2-methoxyethyl)-N-methylpiperidine-1-sulfonamide has a molecular weight of 331.44 g/mol, XLogP of 0.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-1,2,4-triazol-3-yl)-N-(2-methoxyethyl)-N-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 75420427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).