1-(4-ethoxyphenyl)sulfonyl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine

C18H26N4O3S — CID 99820829

IUPAC1-(4-ethoxyphenyl)sulfonyl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCCOc1ccc(S(=O)(=O)N2CCC(c3nncn3C(C)C)CC2)cc1
InChIInChI=1S/C18H26N4O3S/c1-4-25-16-5-7-17(8-6-16)26(23,24)21-11-9-15(10-12-21)18-20-19-13-22(18)14(2)3/h5-8,13-15H,4,9-12H2,1-3H3
InChIKeyDRPUEQYGQLGMEU-UHFFFAOYSA-N
MW378.50 g/mol
LogP2.83
Rot. Bonds6

About 1-(4-ethoxyphenyl)sulfonyl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine

1-(4-ethoxyphenyl)sulfonyl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine (PubChem CID 99820829) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)sulfonyl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)sulfonyl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
PubChem CID99820829
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC Name1-(4-ethoxyphenyl)sulfonyl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCCOc1ccc(S(=O)(=O)N2CCC(c3nncn3C(C)C)CC2)cc1
InChIInChI=1S/C18H26N4O3S/c1-4-25-16-5-7-17(8-6-16)26(23,24)21-11-9-15(10-12-21)18-20-19-13-22(18)14(2)3/h5-8,13-15H,4,9-12H2,1-3H3
InChIKeyDRPUEQYGQLGMEU-UHFFFAOYSA-N
XLogP2.83
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine (CID 99820829) is 1-(4-ethoxyphenyl)sulfonyl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-(4-ethoxyphenyl)sulfonyl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-(4-ethoxyphenyl)sulfonyl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine is CCOc1ccc(S(=O)(=O)N2CCC(c3nncn3C(C)C)CC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)sulfonyl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is DRPUEQYGQLGMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-4-25-16-5-7-17(8-6-16)26(23,24)21-11-9-15(10-12-21)18-20-19-13-22(18)14(2)3/h5-8,13-15H,4,9-12H2,1-3H3.
What are the key properties of 1-(4-ethoxyphenyl)sulfonyl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
1-(4-ethoxyphenyl)sulfonyl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 378.50 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)sulfonyl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 99820829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).