1-tert-butyl-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyrazole-4-sulfonamide

C20H32N4O2S2 — CID 86937141

IUPAC1-tert-butyl-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyrazole-4-sulfonamide
SMILESCc1nn(C(C)(C)C)c(C)c1S(=O)(=O)NCC1CCCN(Cc2cccs2)C1
InChIInChI=1S/C20H32N4O2S2/c1-15-19(16(2)24(22-15)20(3,4)5)28(25,26)21-12-17-8-6-10-23(13-17)14-18-9-7-11-27-18/h7,9,11,17,21H,6,8,10,12-14H2,1-5H3
InChIKeyFUFMEJVFROXOOK-UHFFFAOYSA-N
MW424.64 g/mol
LogP3.51
Rot. Bonds6

About 1-tert-butyl-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyrazole-4-sulfonamide

1-tert-butyl-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyrazole-4-sulfonamide (PubChem CID 86937141) has the molecular formula C20H32N4O2S2 and a molecular weight of 424.64 g/mol. Its IUPAC name is 1-tert-butyl-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-tert-butyl-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyrazole-4-sulfonamide
PubChem CID86937141
Molecular FormulaC20H32N4O2S2
Molecular Weight424.64 g/mol
Exact Mass424.20
IUPAC Name1-tert-butyl-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyrazole-4-sulfonamide
SMILESCc1nn(C(C)(C)C)c(C)c1S(=O)(=O)NCC1CCCN(Cc2cccs2)C1
InChIInChI=1S/C20H32N4O2S2/c1-15-19(16(2)24(22-15)20(3,4)5)28(25,26)21-12-17-8-6-10-23(13-17)14-18-9-7-11-27-18/h7,9,11,17,21H,6,8,10,12-14H2,1-5H3
InChIKeyFUFMEJVFROXOOK-UHFFFAOYSA-N
XLogP3.51
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.64
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-tert-butyl-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyrazole-4-sulfonamide (CID 86937141) is 1-tert-butyl-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-tert-butyl-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-tert-butyl-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyrazole-4-sulfonamide is Cc1nn(C(C)(C)C)c(C)c1S(=O)(=O)NCC1CCCN(Cc2cccs2)C1.
What is the InChIKey of 1-tert-butyl-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyrazole-4-sulfonamide?
The InChIKey is FUFMEJVFROXOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2S2/c1-15-19(16(2)24(22-15)20(3,4)5)28(25,26)21-12-17-8-6-10-23(13-17)14-18-9-7-11-27-18/h7,9,11,17,21H,6,8,10,12-14H2,1-5H3.
What are the key properties of 1-tert-butyl-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyrazole-4-sulfonamide?
1-tert-butyl-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyrazole-4-sulfonamide has a molecular weight of 424.64 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,5-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 86937141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).