1-piperidin-4-yl-N-(1-propan-2-ylpyrazol-4-yl)methanesulfonamide

C12H22N4O2S — CID 55132024

IUPAC1-piperidin-4-yl-N-(1-propan-2-ylpyrazol-4-yl)methanesulfonamide
SMILESCC(C)n1cc(NS(=O)(=O)CC2CCNCC2)cn1
InChIInChI=1S/C12H22N4O2S/c1-10(2)16-8-12(7-14-16)15-19(17,18)9-11-3-5-13-6-4-11/h7-8,10-11,13,15H,3-6,9H2,1-2H3
InChIKeyRALVMJNIFRFARR-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.21
Rot. Bonds5

About 1-piperidin-4-yl-N-(1-propan-2-ylpyrazol-4-yl)methanesulfonamide

1-piperidin-4-yl-N-(1-propan-2-ylpyrazol-4-yl)methanesulfonamide (PubChem CID 55132024) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-(1-propan-2-ylpyrazol-4-yl)methanesulfonamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-(1-propan-2-ylpyrazol-4-yl)methanesulfonamide
PubChem CID55132024
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name1-piperidin-4-yl-N-(1-propan-2-ylpyrazol-4-yl)methanesulfonamide
SMILESCC(C)n1cc(NS(=O)(=O)CC2CCNCC2)cn1
InChIInChI=1S/C12H22N4O2S/c1-10(2)16-8-12(7-14-16)15-19(17,18)9-11-3-5-13-6-4-11/h7-8,10-11,13,15H,3-6,9H2,1-2H3
InChIKeyRALVMJNIFRFARR-UHFFFAOYSA-N
XLogP1.21
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-(1-propan-2-ylpyrazol-4-yl)methanesulfonamide?
The IUPAC name of 1-piperidin-4-yl-N-(1-propan-2-ylpyrazol-4-yl)methanesulfonamide (CID 55132024) is 1-piperidin-4-yl-N-(1-propan-2-ylpyrazol-4-yl)methanesulfonamide.
What is the SMILES notation for 1-piperidin-4-yl-N-(1-propan-2-ylpyrazol-4-yl)methanesulfonamide?
The canonical SMILES for 1-piperidin-4-yl-N-(1-propan-2-ylpyrazol-4-yl)methanesulfonamide is CC(C)n1cc(NS(=O)(=O)CC2CCNCC2)cn1.
What is the InChIKey of 1-piperidin-4-yl-N-(1-propan-2-ylpyrazol-4-yl)methanesulfonamide?
The InChIKey is RALVMJNIFRFARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-10(2)16-8-12(7-14-16)15-19(17,18)9-11-3-5-13-6-4-11/h7-8,10-11,13,15H,3-6,9H2,1-2H3.
What are the key properties of 1-piperidin-4-yl-N-(1-propan-2-ylpyrazol-4-yl)methanesulfonamide?
1-piperidin-4-yl-N-(1-propan-2-ylpyrazol-4-yl)methanesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-(1-propan-2-ylpyrazol-4-yl)methanesulfonamide is sourced from PubChem (CID 55132024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).