N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-sulfonamide

C12H22N4O2S — CID 79242655

IUPACN-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-sulfonamide
SMILESCc1nn(C)c(C)c1CNS(=O)(=O)C1CCCNC1
InChIInChI=1S/C12H22N4O2S/c1-9-12(10(2)16(3)15-9)8-14-19(17,18)11-5-4-6-13-7-11/h11,13-14H,4-8H2,1-3H3
InChIKeyDBWHIPKPTRKNRA-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.21
Rot. Bonds4

About N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-sulfonamide

N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-sulfonamide (PubChem CID 79242655) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-sulfonamide.

Molecular Properties

Compound NameN-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-sulfonamide
PubChem CID79242655
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-sulfonamide
SMILESCc1nn(C)c(C)c1CNS(=O)(=O)C1CCCNC1
InChIInChI=1S/C12H22N4O2S/c1-9-12(10(2)16(3)15-9)8-14-19(17,18)11-5-4-6-13-7-11/h11,13-14H,4-8H2,1-3H3
InChIKeyDBWHIPKPTRKNRA-UHFFFAOYSA-N
XLogP0.21
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-sulfonamide?
The IUPAC name of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-sulfonamide (CID 79242655) is N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-sulfonamide.
What is the SMILES notation for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-sulfonamide?
The canonical SMILES for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-sulfonamide is Cc1nn(C)c(C)c1CNS(=O)(=O)C1CCCNC1.
What is the InChIKey of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-sulfonamide?
The InChIKey is DBWHIPKPTRKNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-9-12(10(2)16(3)15-9)8-14-19(17,18)11-5-4-6-13-7-11/h11,13-14H,4-8H2,1-3H3.
What are the key properties of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-sulfonamide?
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-sulfonamide is sourced from PubChem (CID 79242655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).