1-(2-propan-2-yloxyethylsulfonyl)-4-(1H-pyrazol-5-yl)piperidine

C13H23N3O3S — CID 99813854

IUPAC1-(2-propan-2-yloxyethylsulfonyl)-4-(1H-pyrazol-5-yl)piperidine
SMILESCC(C)OCCS(=O)(=O)N1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C13H23N3O3S/c1-11(2)19-9-10-20(17,18)16-7-4-12(5-8-16)13-3-6-14-15-13/h3,6,11-12H,4-5,7-10H2,1-2H3,(H,14,15)
InChIKeyIKQLXKZYPMPAQO-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.34
Rot. Bonds6

About 1-(2-propan-2-yloxyethylsulfonyl)-4-(1H-pyrazol-5-yl)piperidine

1-(2-propan-2-yloxyethylsulfonyl)-4-(1H-pyrazol-5-yl)piperidine (PubChem CID 99813854) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyethylsulfonyl)-4-(1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-(2-propan-2-yloxyethylsulfonyl)-4-(1H-pyrazol-5-yl)piperidine
PubChem CID99813854
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name1-(2-propan-2-yloxyethylsulfonyl)-4-(1H-pyrazol-5-yl)piperidine
SMILESCC(C)OCCS(=O)(=O)N1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C13H23N3O3S/c1-11(2)19-9-10-20(17,18)16-7-4-12(5-8-16)13-3-6-14-15-13/h3,6,11-12H,4-5,7-10H2,1-2H3,(H,14,15)
InChIKeyIKQLXKZYPMPAQO-UHFFFAOYSA-N
XLogP1.34
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyethylsulfonyl)-4-(1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-(2-propan-2-yloxyethylsulfonyl)-4-(1H-pyrazol-5-yl)piperidine (CID 99813854) is 1-(2-propan-2-yloxyethylsulfonyl)-4-(1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-(2-propan-2-yloxyethylsulfonyl)-4-(1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-(2-propan-2-yloxyethylsulfonyl)-4-(1H-pyrazol-5-yl)piperidine is CC(C)OCCS(=O)(=O)N1CCC(c2ccn[nH]2)CC1.
What is the InChIKey of 1-(2-propan-2-yloxyethylsulfonyl)-4-(1H-pyrazol-5-yl)piperidine?
The InChIKey is IKQLXKZYPMPAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-11(2)19-9-10-20(17,18)16-7-4-12(5-8-16)13-3-6-14-15-13/h3,6,11-12H,4-5,7-10H2,1-2H3,(H,14,15).
What are the key properties of 1-(2-propan-2-yloxyethylsulfonyl)-4-(1H-pyrazol-5-yl)piperidine?
1-(2-propan-2-yloxyethylsulfonyl)-4-(1H-pyrazol-5-yl)piperidine has a molecular weight of 301.41 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyethylsulfonyl)-4-(1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 99813854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).