(2R)-1-(2-ethylpyrazol-3-yl)sulfonyl-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine

C15H24N6O2S — CID 129487495

IUPAC(2R)-1-(2-ethylpyrazol-3-yl)sulfonyl-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine
SMILESCCn1nccc1S(=O)(=O)N1CCCC[C@@H]1c1nc(C(C)C)n[nH]1
InChIInChI=1S/C15H24N6O2S/c1-4-20-13(8-9-16-20)24(22,23)21-10-6-5-7-12(21)15-17-14(11(2)3)18-19-15/h8-9,11-12H,4-7,10H2,1-3H3,(H,17,18,19)/t12-/m1/s1
InChIKeySSLRJNNWDOBPJS-GFCCVEGCSA-N
MW352.46 g/mol
LogP2.06
Rot. Bonds5

About (2R)-1-(2-ethylpyrazol-3-yl)sulfonyl-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine

(2R)-1-(2-ethylpyrazol-3-yl)sulfonyl-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine (PubChem CID 129487495) has the molecular formula C15H24N6O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is (2R)-1-(2-ethylpyrazol-3-yl)sulfonyl-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine.

Molecular Properties

Compound Name(2R)-1-(2-ethylpyrazol-3-yl)sulfonyl-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine
PubChem CID129487495
Molecular FormulaC15H24N6O2S
Molecular Weight352.46 g/mol
Exact Mass352.17
IUPAC Name(2R)-1-(2-ethylpyrazol-3-yl)sulfonyl-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine
SMILESCCn1nccc1S(=O)(=O)N1CCCC[C@@H]1c1nc(C(C)C)n[nH]1
InChIInChI=1S/C15H24N6O2S/c1-4-20-13(8-9-16-20)24(22,23)21-10-6-5-7-12(21)15-17-14(11(2)3)18-19-15/h8-9,11-12H,4-7,10H2,1-3H3,(H,17,18,19)/t12-/m1/s1
InChIKeySSLRJNNWDOBPJS-GFCCVEGCSA-N
XLogP2.06
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-ethylpyrazol-3-yl)sulfonyl-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine?
The IUPAC name of (2R)-1-(2-ethylpyrazol-3-yl)sulfonyl-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine (CID 129487495) is (2R)-1-(2-ethylpyrazol-3-yl)sulfonyl-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine.
What is the SMILES notation for (2R)-1-(2-ethylpyrazol-3-yl)sulfonyl-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine?
The canonical SMILES for (2R)-1-(2-ethylpyrazol-3-yl)sulfonyl-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine is CCn1nccc1S(=O)(=O)N1CCCC[C@@H]1c1nc(C(C)C)n[nH]1.
What is the InChIKey of (2R)-1-(2-ethylpyrazol-3-yl)sulfonyl-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine?
The InChIKey is SSLRJNNWDOBPJS-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24N6O2S/c1-4-20-13(8-9-16-20)24(22,23)21-10-6-5-7-12(21)15-17-14(11(2)3)18-19-15/h8-9,11-12H,4-7,10H2,1-3H3,(H,17,18,19)/t12-/m1/s1.
What are the key properties of (2R)-1-(2-ethylpyrazol-3-yl)sulfonyl-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine?
(2R)-1-(2-ethylpyrazol-3-yl)sulfonyl-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine has a molecular weight of 352.46 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-ethylpyrazol-3-yl)sulfonyl-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine is sourced from PubChem (CID 129487495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).