N-[[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide

C20H28N4O3S2 — CID 45188467

IUPACN-[[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
SMILESO=C(c1cn[nH]c1C1CCCCC1)N1CCCC(CNS(=O)(=O)c2cccs2)C1
InChIInChI=1S/C20H28N4O3S2/c25-20(17-13-21-23-19(17)16-7-2-1-3-8-16)24-10-4-6-15(14-24)12-22-29(26,27)18-9-5-11-28-18/h5,9,11,13,15-16,22H,1-4,6-8,10,12,14H2,(H,21,23)
InChIKeyVGZIIRKMGHITNM-UHFFFAOYSA-N
MW436.60 g/mol
LogP3.35
Rot. Bonds6

About N-[[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide

N-[[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide (PubChem CID 45188467) has the molecular formula C20H28N4O3S2 and a molecular weight of 436.60 g/mol. Its IUPAC name is N-[[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
PubChem CID45188467
Molecular FormulaC20H28N4O3S2
Molecular Weight436.60 g/mol
Exact Mass436.16
IUPAC NameN-[[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
SMILESO=C(c1cn[nH]c1C1CCCCC1)N1CCCC(CNS(=O)(=O)c2cccs2)C1
InChIInChI=1S/C20H28N4O3S2/c25-20(17-13-21-23-19(17)16-7-2-1-3-8-16)24-10-4-6-15(14-24)12-22-29(26,27)18-9-5-11-28-18/h5,9,11,13,15-16,22H,1-4,6-8,10,12,14H2,(H,21,23)
InChIKeyVGZIIRKMGHITNM-UHFFFAOYSA-N
XLogP3.35
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide (CID 45188467) is N-[[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide is O=C(c1cn[nH]c1C1CCCCC1)N1CCCC(CNS(=O)(=O)c2cccs2)C1.
What is the InChIKey of N-[[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is VGZIIRKMGHITNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3S2/c25-20(17-13-21-23-19(17)16-7-2-1-3-8-16)24-10-4-6-15(14-24)12-22-29(26,27)18-9-5-11-28-18/h5,9,11,13,15-16,22H,1-4,6-8,10,12,14H2,(H,21,23).
What are the key properties of N-[[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide?
N-[[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 436.60 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 45188467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).