1,3,5-trimethyl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-sulfonamide

C17H26N4O2S2 — CID 71806266

IUPAC1,3,5-trimethyl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C17H26N4O2S2/c1-13-17(14(2)20(3)19-13)25(22,23)18-10-15-4-7-21(8-5-15)11-16-6-9-24-12-16/h6,9,12,15,18H,4-5,7-8,10-11H2,1-3H3
InChIKeyHWCUTKSXQNFCDY-UHFFFAOYSA-N
MW382.56 g/mol
LogP2.29
Rot. Bonds6

About 1,3,5-trimethyl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-sulfonamide

1,3,5-trimethyl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-sulfonamide (PubChem CID 71806266) has the molecular formula C17H26N4O2S2 and a molecular weight of 382.56 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-sulfonamide
PubChem CID71806266
Molecular FormulaC17H26N4O2S2
Molecular Weight382.56 g/mol
Exact Mass382.15
IUPAC Name1,3,5-trimethyl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C17H26N4O2S2/c1-13-17(14(2)20(3)19-13)25(22,23)18-10-15-4-7-21(8-5-15)11-16-6-9-24-12-16/h6,9,12,15,18H,4-5,7-8,10-11H2,1-3H3
InChIKeyHWCUTKSXQNFCDY-UHFFFAOYSA-N
XLogP2.29
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.56
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-sulfonamide (CID 71806266) is 1,3,5-trimethyl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCC1CCN(Cc2ccsc2)CC1.
What is the InChIKey of 1,3,5-trimethyl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-sulfonamide?
The InChIKey is HWCUTKSXQNFCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S2/c1-13-17(14(2)20(3)19-13)25(22,23)18-10-15-4-7-21(8-5-15)11-16-6-9-24-12-16/h6,9,12,15,18H,4-5,7-8,10-11H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-sulfonamide has a molecular weight of 382.56 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 71806266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).