N-(1-butylpiperidin-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide

C13H24N4O2S — CID 61275807

IUPACN-(1-butylpiperidin-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCCCCN1CCC(NS(=O)(=O)c2cn[nH]c2C)CC1
InChIInChI=1S/C13H24N4O2S/c1-3-4-7-17-8-5-12(6-9-17)16-20(18,19)13-10-14-15-11(13)2/h10,12,16H,3-9H2,1-2H3,(H,14,15)
InChIKeyJGWDMBXWMQHIMO-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.26
Rot. Bonds6

About N-(1-butylpiperidin-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(1-butylpiperidin-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 61275807) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-(1-butylpiperidin-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-butylpiperidin-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID61275807
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-(1-butylpiperidin-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCCCCN1CCC(NS(=O)(=O)c2cn[nH]c2C)CC1
InChIInChI=1S/C13H24N4O2S/c1-3-4-7-17-8-5-12(6-9-17)16-20(18,19)13-10-14-15-11(13)2/h10,12,16H,3-9H2,1-2H3,(H,14,15)
InChIKeyJGWDMBXWMQHIMO-UHFFFAOYSA-N
XLogP1.26
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-butylpiperidin-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(1-butylpiperidin-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 61275807) is N-(1-butylpiperidin-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-butylpiperidin-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(1-butylpiperidin-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide is CCCCN1CCC(NS(=O)(=O)c2cn[nH]c2C)CC1.
What is the InChIKey of N-(1-butylpiperidin-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is JGWDMBXWMQHIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-3-4-7-17-8-5-12(6-9-17)16-20(18,19)13-10-14-15-11(13)2/h10,12,16H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N-(1-butylpiperidin-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(1-butylpiperidin-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylpiperidin-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61275807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).