3,5-dimethyl-1-(2-methylpropyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide

C17H32N4O2S — CID 120712616

IUPAC3,5-dimethyl-1-(2-methylpropyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1c(C)nn(CC(C)C)c1C
InChIInChI=1S/C17H32N4O2S/c1-6-11-21(16-7-9-18-10-8-16)24(22,23)17-14(4)19-20(15(17)5)12-13(2)3/h13,16,18H,6-12H2,1-5H3
InChIKeyUXGGKGUBNAFSTJ-UHFFFAOYSA-N
MW356.54 g/mol
LogP2.31
Rot. Bonds7

About 3,5-dimethyl-1-(2-methylpropyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide

3,5-dimethyl-1-(2-methylpropyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide (PubChem CID 120712616) has the molecular formula C17H32N4O2S and a molecular weight of 356.54 g/mol. Its IUPAC name is 3,5-dimethyl-1-(2-methylpropyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-1-(2-methylpropyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide
PubChem CID120712616
Molecular FormulaC17H32N4O2S
Molecular Weight356.54 g/mol
Exact Mass356.22
IUPAC Name3,5-dimethyl-1-(2-methylpropyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1c(C)nn(CC(C)C)c1C
InChIInChI=1S/C17H32N4O2S/c1-6-11-21(16-7-9-18-10-8-16)24(22,23)17-14(4)19-20(15(17)5)12-13(2)3/h13,16,18H,6-12H2,1-5H3
InChIKeyUXGGKGUBNAFSTJ-UHFFFAOYSA-N
XLogP2.31
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-1-(2-methylpropyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide;hydrochloride
CID 120712615
N,3,5-trimethyl-1-(2-methylpropyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide
CID 120709837
3,5-dimethyl-N-piperidin-4-yl-N-propyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119993772
N-(2-cyclopropyl-2-hydroxyethyl)-N,3,5-trimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide
CID 75477034
3-methyl-N-piperidin-4-yl-N-propylbutane-1-sulfonamide
CID 63855512
3,5-dimethyl-1-(2-methylpropyl)-N,N-bis(prop-2-ynyl)pyrazole-4-sulfonamide
CID 75477027
2-methyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-5-sulfonamide
CID 103951467
N-cyclopropyl-N-ethyl-3,5-dimethyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide
CID 167789303
3,5-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride
CID 120720041
5-methyl-N-piperidin-4-yl-N-propylthiophene-2-sulfonamide
CID 54923399
4-fluoro-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119993817
2,4,6-trimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63300552

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(2-methylpropyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-1-(2-methylpropyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide (CID 120712616) is 3,5-dimethyl-1-(2-methylpropyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-1-(2-methylpropyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-1-(2-methylpropyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide is CCCN(C1CCNCC1)S(=O)(=O)c1c(C)nn(CC(C)C)c1C.
What is the InChIKey of 3,5-dimethyl-1-(2-methylpropyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide?
The InChIKey is UXGGKGUBNAFSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2S/c1-6-11-21(16-7-9-18-10-8-16)24(22,23)17-14(4)19-20(15(17)5)12-13(2)3/h13,16,18H,6-12H2,1-5H3.
What are the key properties of 3,5-dimethyl-1-(2-methylpropyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide?
3,5-dimethyl-1-(2-methylpropyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide has a molecular weight of 356.54 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(2-methylpropyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 120712616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).