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

C12H23N5O2S — CID 61125890

IUPAC5-amino-N-(1-tert-butylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
SMILESCC(C)(C)N1CCC(NS(=O)(=O)c2cn[nH]c2N)CC1
InChIInChI=1S/C12H23N5O2S/c1-12(2,3)17-6-4-9(5-7-17)16-20(18,19)10-8-14-15-11(10)13/h8-9,16H,4-7H2,1-3H3,(H3,13,14,15)
InChIKeyQTVNZBPUUTVELA-UHFFFAOYSA-N
MW301.42 g/mol
LogP0.53
Rot. Bonds3

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

5-amino-N-(1-tert-butylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 61125890) has the molecular formula C12H23N5O2S and a molecular weight of 301.42 g/mol. Its IUPAC name is 5-amino-N-(1-tert-butylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(1-tert-butylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
PubChem CID61125890
Molecular FormulaC12H23N5O2S
Molecular Weight301.42 g/mol
Exact Mass301.16
IUPAC Name5-amino-N-(1-tert-butylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
SMILESCC(C)(C)N1CCC(NS(=O)(=O)c2cn[nH]c2N)CC1
InChIInChI=1S/C12H23N5O2S/c1-12(2,3)17-6-4-9(5-7-17)16-20(18,19)10-8-14-15-11(10)13/h8-9,16H,4-7H2,1-3H3,(H3,13,14,15)
InChIKeyQTVNZBPUUTVELA-UHFFFAOYSA-N
XLogP0.53
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-tert-butylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(1-tert-butylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide (CID 61125890) is 5-amino-N-(1-tert-butylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(1-tert-butylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(1-tert-butylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide is CC(C)(C)N1CCC(NS(=O)(=O)c2cn[nH]c2N)CC1.
What is the InChIKey of 5-amino-N-(1-tert-butylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is QTVNZBPUUTVELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S/c1-12(2,3)17-6-4-9(5-7-17)16-20(18,19)10-8-14-15-11(10)13/h8-9,16H,4-7H2,1-3H3,(H3,13,14,15).
What are the key properties of 5-amino-N-(1-tert-butylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(1-tert-butylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 301.42 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-tert-butylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61125890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).