1-(1-ethylpyrazol-4-yl)sulfonyl-3-(2H-tetrazol-5-yl)piperidine

C11H17N7O2S — CID 91909493

IUPAC1-(1-ethylpyrazol-4-yl)sulfonyl-3-(2H-tetrazol-5-yl)piperidine
SMILESCCn1cc(S(=O)(=O)N2CCCC(c3nn[nH]n3)C2)cn1
InChIInChI=1S/C11H17N7O2S/c1-2-17-8-10(6-12-17)21(19,20)18-5-3-4-9(7-18)11-13-15-16-14-11/h6,8-9H,2-5,7H2,1H3,(H,13,14,15,16)
InChIKeyQHSAVPRPXRSPAZ-UHFFFAOYSA-N
MW311.37 g/mol
LogP-0.02
Rot. Bonds4

About 1-(1-ethylpyrazol-4-yl)sulfonyl-3-(2H-tetrazol-5-yl)piperidine

1-(1-ethylpyrazol-4-yl)sulfonyl-3-(2H-tetrazol-5-yl)piperidine (PubChem CID 91909493) has the molecular formula C11H17N7O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)sulfonyl-3-(2H-tetrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)sulfonyl-3-(2H-tetrazol-5-yl)piperidine
PubChem CID91909493
Molecular FormulaC11H17N7O2S
Molecular Weight311.37 g/mol
Exact Mass311.12
IUPAC Name1-(1-ethylpyrazol-4-yl)sulfonyl-3-(2H-tetrazol-5-yl)piperidine
SMILESCCn1cc(S(=O)(=O)N2CCCC(c3nn[nH]n3)C2)cn1
InChIInChI=1S/C11H17N7O2S/c1-2-17-8-10(6-12-17)21(19,20)18-5-3-4-9(7-18)11-13-15-16-14-11/h6,8-9H,2-5,7H2,1H3,(H,13,14,15,16)
InChIKeyQHSAVPRPXRSPAZ-UHFFFAOYSA-N
XLogP-0.02
TPSA109.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)sulfonyl-3-(2H-tetrazol-5-yl)piperidine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)sulfonyl-3-(2H-tetrazol-5-yl)piperidine (CID 91909493) is 1-(1-ethylpyrazol-4-yl)sulfonyl-3-(2H-tetrazol-5-yl)piperidine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)sulfonyl-3-(2H-tetrazol-5-yl)piperidine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)sulfonyl-3-(2H-tetrazol-5-yl)piperidine is CCn1cc(S(=O)(=O)N2CCCC(c3nn[nH]n3)C2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)sulfonyl-3-(2H-tetrazol-5-yl)piperidine?
The InChIKey is QHSAVPRPXRSPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O2S/c1-2-17-8-10(6-12-17)21(19,20)18-5-3-4-9(7-18)11-13-15-16-14-11/h6,8-9H,2-5,7H2,1H3,(H,13,14,15,16).
What are the key properties of 1-(1-ethylpyrazol-4-yl)sulfonyl-3-(2H-tetrazol-5-yl)piperidine?
1-(1-ethylpyrazol-4-yl)sulfonyl-3-(2H-tetrazol-5-yl)piperidine has a molecular weight of 311.37 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)sulfonyl-3-(2H-tetrazol-5-yl)piperidine is sourced from PubChem (CID 91909493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).