[4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone

C14H22N4O4S — CID 40635888

IUPAC[4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESCCn1cc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cn1
InChIInChI=1S/C14H22N4O4S/c1-2-17-11-12(10-15-17)23(20,21)18-7-5-16(6-8-18)14(19)13-4-3-9-22-13/h10-11,13H,2-9H2,1H3/t13-/m0/s1
InChIKeyUZSXVBBCYYJEAO-ZDUSSCGKSA-N
MW342.42 g/mol
LogP-0.09
Rot. Bonds4

About [4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone

[4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone (PubChem CID 40635888) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is [4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
PubChem CID40635888
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC Name[4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESCCn1cc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cn1
InChIInChI=1S/C14H22N4O4S/c1-2-17-11-12(10-15-17)23(20,21)18-7-5-16(6-8-18)14(19)13-4-3-9-22-13/h10-11,13H,2-9H2,1H3/t13-/m0/s1
InChIKeyUZSXVBBCYYJEAO-ZDUSSCGKSA-N
XLogP-0.09
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The IUPAC name of [4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone (CID 40635888) is [4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone.
What is the SMILES notation for [4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The canonical SMILES for [4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone is CCn1cc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cn1.
What is the InChIKey of [4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The InChIKey is UZSXVBBCYYJEAO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-2-17-11-12(10-15-17)23(20,21)18-7-5-16(6-8-18)14(19)13-4-3-9-22-13/h10-11,13H,2-9H2,1H3/t13-/m0/s1.
What are the key properties of [4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
[4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone has a molecular weight of 342.42 g/mol, XLogP of -0.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone is sourced from PubChem (CID 40635888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).