1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperidin-3-ol

C10H16ClN3O3S — CID 114150476

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperidin-3-ol
SMILESCC1CCN(S(=O)(=O)c2c(Cl)cnn2C)CC1O
InChIInChI=1S/C10H16ClN3O3S/c1-7-3-4-14(6-9(7)15)18(16,17)10-8(11)5-12-13(10)2/h5,7,9,15H,3-4,6H2,1-2H3
InChIKeyJSPGQYMESWLGDE-UHFFFAOYSA-N
MW293.78 g/mol
LogP0.46
Rot. Bonds2

About 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperidin-3-ol

1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperidin-3-ol (PubChem CID 114150476) has the molecular formula C10H16ClN3O3S and a molecular weight of 293.78 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperidin-3-ol
PubChem CID114150476
Molecular FormulaC10H16ClN3O3S
Molecular Weight293.78 g/mol
Exact Mass293.06
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperidin-3-ol
SMILESCC1CCN(S(=O)(=O)c2c(Cl)cnn2C)CC1O
InChIInChI=1S/C10H16ClN3O3S/c1-7-3-4-14(6-9(7)15)18(16,17)10-8(11)5-12-13(10)2/h5,7,9,15H,3-4,6H2,1-2H3
InChIKeyJSPGQYMESWLGDE-UHFFFAOYSA-N
XLogP0.46
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperidin-3-ol?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperidin-3-ol (CID 114150476) is 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperidin-3-ol?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperidin-3-ol is CC1CCN(S(=O)(=O)c2c(Cl)cnn2C)CC1O.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperidin-3-ol?
The InChIKey is JSPGQYMESWLGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O3S/c1-7-3-4-14(6-9(7)15)18(16,17)10-8(11)5-12-13(10)2/h5,7,9,15H,3-4,6H2,1-2H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperidin-3-ol?
1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperidin-3-ol has a molecular weight of 293.78 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperidin-3-ol is sourced from PubChem (CID 114150476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).