1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]propan-2-ol

C14H25N3O3S — CID 79538098

IUPAC1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]propan-2-ol
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCCCC1CC(C)O
InChIInChI=1S/C14H25N3O3S/c1-10(18)9-13-7-5-6-8-17(13)21(19,20)14-11(2)15-16(4)12(14)3/h10,13,18H,5-9H2,1-4H3
InChIKeyQLUMNRIRGQPLSU-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.35
Rot. Bonds4

About 1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]propan-2-ol

1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]propan-2-ol (PubChem CID 79538098) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]propan-2-ol
PubChem CID79538098
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]propan-2-ol
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCCCC1CC(C)O
InChIInChI=1S/C14H25N3O3S/c1-10(18)9-13-7-5-6-8-17(13)21(19,20)14-11(2)15-16(4)12(14)3/h10,13,18H,5-9H2,1-4H3
InChIKeyQLUMNRIRGQPLSU-UHFFFAOYSA-N
XLogP1.35
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]propan-2-ol (CID 79538098) is 1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]propan-2-ol is Cc1nn(C)c(C)c1S(=O)(=O)N1CCCCC1CC(C)O.
What is the InChIKey of 1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]propan-2-ol?
The InChIKey is QLUMNRIRGQPLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-10(18)9-13-7-5-6-8-17(13)21(19,20)14-11(2)15-16(4)12(14)3/h10,13,18H,5-9H2,1-4H3.
What are the key properties of 1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]propan-2-ol?
1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]propan-2-ol has a molecular weight of 315.44 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]propan-2-ol is sourced from PubChem (CID 79538098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).