N,1-dimethyl-N-(1-methylpiperidin-4-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide

C15H22N4O2S2 — CID 42349631

IUPACN,1-dimethyl-N-(1-methylpiperidin-4-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2cn(C)nc2-c2cccs2)CC1
InChIInChI=1S/C15H22N4O2S2/c1-17-8-6-12(7-9-17)19(3)23(20,21)14-11-18(2)16-15(14)13-5-4-10-22-13/h4-5,10-12H,6-9H2,1-3H3
InChIKeyFXURJQCKPUHLNT-UHFFFAOYSA-N
MW354.50 g/mol
LogP1.86
Rot. Bonds4

About N,1-dimethyl-N-(1-methylpiperidin-4-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide

N,1-dimethyl-N-(1-methylpiperidin-4-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide (PubChem CID 42349631) has the molecular formula C15H22N4O2S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is N,1-dimethyl-N-(1-methylpiperidin-4-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,1-dimethyl-N-(1-methylpiperidin-4-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide
PubChem CID42349631
Molecular FormulaC15H22N4O2S2
Molecular Weight354.50 g/mol
Exact Mass354.12
IUPAC NameN,1-dimethyl-N-(1-methylpiperidin-4-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2cn(C)nc2-c2cccs2)CC1
InChIInChI=1S/C15H22N4O2S2/c1-17-8-6-12(7-9-17)19(3)23(20,21)14-11-18(2)16-15(14)13-5-4-10-22-13/h4-5,10-12H,6-9H2,1-3H3
InChIKeyFXURJQCKPUHLNT-UHFFFAOYSA-N
XLogP1.86
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-(1-methylpiperidin-4-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N,1-dimethyl-N-(1-methylpiperidin-4-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide (CID 42349631) is N,1-dimethyl-N-(1-methylpiperidin-4-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N,1-dimethyl-N-(1-methylpiperidin-4-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N,1-dimethyl-N-(1-methylpiperidin-4-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide is CN1CCC(N(C)S(=O)(=O)c2cn(C)nc2-c2cccs2)CC1.
What is the InChIKey of N,1-dimethyl-N-(1-methylpiperidin-4-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide?
The InChIKey is FXURJQCKPUHLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S2/c1-17-8-6-12(7-9-17)19(3)23(20,21)14-11-18(2)16-15(14)13-5-4-10-22-13/h4-5,10-12H,6-9H2,1-3H3.
What are the key properties of N,1-dimethyl-N-(1-methylpiperidin-4-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide?
N,1-dimethyl-N-(1-methylpiperidin-4-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide has a molecular weight of 354.50 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-(1-methylpiperidin-4-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42349631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).