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

C15H26N4O3S — CID 71809744

IUPAC1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(N2CCC(O)C2)CC1
InChIInChI=1S/C15H26N4O3S/c1-11-15(12(2)17(3)16-11)23(21,22)19-8-4-13(5-9-19)18-7-6-14(20)10-18/h13-14,20H,4-10H2,1-3H3
InChIKeyQTJWMRBVIIOSDQ-UHFFFAOYSA-N
MW342.47 g/mol
LogP0.26
Rot. Bonds3

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

1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol (PubChem CID 71809744) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is 1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol
PubChem CID71809744
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC Name1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(N2CCC(O)C2)CC1
InChIInChI=1S/C15H26N4O3S/c1-11-15(12(2)17(3)16-11)23(21,22)19-8-4-13(5-9-19)18-7-6-14(20)10-18/h13-14,20H,4-10H2,1-3H3
InChIKeyQTJWMRBVIIOSDQ-UHFFFAOYSA-N
XLogP0.26
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol (CID 71809744) is 1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol is Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(N2CCC(O)C2)CC1.
What is the InChIKey of 1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol?
The InChIKey is QTJWMRBVIIOSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-11-15(12(2)17(3)16-11)23(21,22)19-8-4-13(5-9-19)18-7-6-14(20)10-18/h13-14,20H,4-10H2,1-3H3.
What are the key properties of 1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol?
1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol has a molecular weight of 342.47 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 71809744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).