N,2-dimethyl-N-(2-piperidin-2-ylethyl)pyrazole-3-sulfonamide

C12H22N4O2S — CID 104709833

IUPACN,2-dimethyl-N-(2-piperidin-2-ylethyl)pyrazole-3-sulfonamide
SMILESCN(CCC1CCCCN1)S(=O)(=O)c1ccnn1C
InChIInChI=1S/C12H22N4O2S/c1-15(10-7-11-5-3-4-8-13-11)19(17,18)12-6-9-14-16(12)2/h6,9,11,13H,3-5,7-8,10H2,1-2H3
InChIKeyPSRXRVIMWGZTSV-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.57
Rot. Bonds5

About N,2-dimethyl-N-(2-piperidin-2-ylethyl)pyrazole-3-sulfonamide

N,2-dimethyl-N-(2-piperidin-2-ylethyl)pyrazole-3-sulfonamide (PubChem CID 104709833) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N,2-dimethyl-N-(2-piperidin-2-ylethyl)pyrazole-3-sulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(2-piperidin-2-ylethyl)pyrazole-3-sulfonamide
PubChem CID104709833
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN,2-dimethyl-N-(2-piperidin-2-ylethyl)pyrazole-3-sulfonamide
SMILESCN(CCC1CCCCN1)S(=O)(=O)c1ccnn1C
InChIInChI=1S/C12H22N4O2S/c1-15(10-7-11-5-3-4-8-13-11)19(17,18)12-6-9-14-16(12)2/h6,9,11,13H,3-5,7-8,10H2,1-2H3
InChIKeyPSRXRVIMWGZTSV-UHFFFAOYSA-N
XLogP0.57
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(2-piperidin-2-ylethyl)pyrazole-3-sulfonamide?
The IUPAC name of N,2-dimethyl-N-(2-piperidin-2-ylethyl)pyrazole-3-sulfonamide (CID 104709833) is N,2-dimethyl-N-(2-piperidin-2-ylethyl)pyrazole-3-sulfonamide.
What is the SMILES notation for N,2-dimethyl-N-(2-piperidin-2-ylethyl)pyrazole-3-sulfonamide?
The canonical SMILES for N,2-dimethyl-N-(2-piperidin-2-ylethyl)pyrazole-3-sulfonamide is CN(CCC1CCCCN1)S(=O)(=O)c1ccnn1C.
What is the InChIKey of N,2-dimethyl-N-(2-piperidin-2-ylethyl)pyrazole-3-sulfonamide?
The InChIKey is PSRXRVIMWGZTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-15(10-7-11-5-3-4-8-13-11)19(17,18)12-6-9-14-16(12)2/h6,9,11,13H,3-5,7-8,10H2,1-2H3.
What are the key properties of N,2-dimethyl-N-(2-piperidin-2-ylethyl)pyrazole-3-sulfonamide?
N,2-dimethyl-N-(2-piperidin-2-ylethyl)pyrazole-3-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(2-piperidin-2-ylethyl)pyrazole-3-sulfonamide is sourced from PubChem (CID 104709833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).