N-(1-propan-2-ylpyrazol-4-yl)piperidine-3-sulfonamide

C11H20N4O2S — CID 62902334

IUPACN-(1-propan-2-ylpyrazol-4-yl)piperidine-3-sulfonamide
SMILESCC(C)n1cc(NS(=O)(=O)C2CCCNC2)cn1
InChIInChI=1S/C11H20N4O2S/c1-9(2)15-8-10(6-13-15)14-18(16,17)11-4-3-5-12-7-11/h6,8-9,11-12,14H,3-5,7H2,1-2H3
InChIKeyBVEHAKDBHNOCLH-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.96
Rot. Bonds4

About N-(1-propan-2-ylpyrazol-4-yl)piperidine-3-sulfonamide

N-(1-propan-2-ylpyrazol-4-yl)piperidine-3-sulfonamide (PubChem CID 62902334) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(1-propan-2-ylpyrazol-4-yl)piperidine-3-sulfonamide.

Molecular Properties

Compound NameN-(1-propan-2-ylpyrazol-4-yl)piperidine-3-sulfonamide
PubChem CID62902334
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-(1-propan-2-ylpyrazol-4-yl)piperidine-3-sulfonamide
SMILESCC(C)n1cc(NS(=O)(=O)C2CCCNC2)cn1
InChIInChI=1S/C11H20N4O2S/c1-9(2)15-8-10(6-13-15)14-18(16,17)11-4-3-5-12-7-11/h6,8-9,11-12,14H,3-5,7H2,1-2H3
InChIKeyBVEHAKDBHNOCLH-UHFFFAOYSA-N
XLogP0.96
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylpyrazol-4-yl)piperidine-3-sulfonamide?
The IUPAC name of N-(1-propan-2-ylpyrazol-4-yl)piperidine-3-sulfonamide (CID 62902334) is N-(1-propan-2-ylpyrazol-4-yl)piperidine-3-sulfonamide.
What is the SMILES notation for N-(1-propan-2-ylpyrazol-4-yl)piperidine-3-sulfonamide?
The canonical SMILES for N-(1-propan-2-ylpyrazol-4-yl)piperidine-3-sulfonamide is CC(C)n1cc(NS(=O)(=O)C2CCCNC2)cn1.
What is the InChIKey of N-(1-propan-2-ylpyrazol-4-yl)piperidine-3-sulfonamide?
The InChIKey is BVEHAKDBHNOCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-9(2)15-8-10(6-13-15)14-18(16,17)11-4-3-5-12-7-11/h6,8-9,11-12,14H,3-5,7H2,1-2H3.
What are the key properties of N-(1-propan-2-ylpyrazol-4-yl)piperidine-3-sulfonamide?
N-(1-propan-2-ylpyrazol-4-yl)piperidine-3-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylpyrazol-4-yl)piperidine-3-sulfonamide is sourced from PubChem (CID 62902334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).