6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-N-cyclohexyl-N-methylpyridine-3-sulfonamide

C24H34N2O3S2 — CID 24530973

IUPAC6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-N-cyclohexyl-N-methylpyridine-3-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(SCC(=O)C23CC4CC(CC(C4)C2)C3)nc1
InChIInChI=1S/C24H34N2O3S2/c1-26(20-5-3-2-4-6-20)31(28,29)21-7-8-23(25-15-21)30-16-22(27)24-12-17-9-18(13-24)11-19(10-17)14-24/h7-8,15,17-20H,2-6,9-14,16H2,1H3
InChIKeyQQFWWFUZBIUAPO-UHFFFAOYSA-N
MW462.68 g/mol
LogP4.91
Rot. Bonds7

About 6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-N-cyclohexyl-N-methylpyridine-3-sulfonamide

6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-N-cyclohexyl-N-methylpyridine-3-sulfonamide (PubChem CID 24530973) has the molecular formula C24H34N2O3S2 and a molecular weight of 462.68 g/mol. Its IUPAC name is 6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-N-cyclohexyl-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-N-cyclohexyl-N-methylpyridine-3-sulfonamide
PubChem CID24530973
Molecular FormulaC24H34N2O3S2
Molecular Weight462.68 g/mol
Exact Mass462.20
IUPAC Name6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-N-cyclohexyl-N-methylpyridine-3-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(SCC(=O)C23CC4CC(CC(C4)C2)C3)nc1
InChIInChI=1S/C24H34N2O3S2/c1-26(20-5-3-2-4-6-20)31(28,29)21-7-8-23(25-15-21)30-16-22(27)24-12-17-9-18(13-24)11-19(10-17)14-24/h7-8,15,17-20H,2-6,9-14,16H2,1H3
InChIKeyQQFWWFUZBIUAPO-UHFFFAOYSA-N
XLogP4.91
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.68
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-N-cyclohexyl-N-methylpyridine-3-sulfonamide with MolForge

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Related Compounds

6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide
CID 24530942
2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-propan-2-ylacetamide
CID 7774946
ethyl N-[2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]acetyl]carbamate
CID 7774962
6-[(E)-4-amino-3-cyano-2-oxopent-3-enyl]sulfanyl-N-cyclohexyl-N-methylpyridine-3-sulfonamide
CID 16617457
N-cyclohexyl-N-methyl-6-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanylpyridine-3-sulfonamide
CID 7491214
N-(2-cyanoethyl)-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]acetamide
CID 7774968
2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40681007
N-cyclohexyl-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-sulfonamide
CID 7778877
N-cyclohexyl-N-methyl-6-[2-(4-methylphenoxy)ethylsulfanyl]pyridine-3-sulfonamide
CID 7491182
N-cyclohexyl-6-(2-hydroxy-4-phenylbutyl)sulfanyl-N-methylpyridine-3-sulfonamide
CID 154861439
(2R)-2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41403410
N-cyclohexyl-6-[3-(4-fluorophenoxy)-2-hydroxypropyl]sulfanyl-N-methylpyridine-3-sulfonamide
CID 45352232

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-N-cyclohexyl-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-N-cyclohexyl-N-methylpyridine-3-sulfonamide (CID 24530973) is 6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-N-cyclohexyl-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-N-cyclohexyl-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-N-cyclohexyl-N-methylpyridine-3-sulfonamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(SCC(=O)C23CC4CC(CC(C4)C2)C3)nc1.
What is the InChIKey of 6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-N-cyclohexyl-N-methylpyridine-3-sulfonamide?
The InChIKey is QQFWWFUZBIUAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3S2/c1-26(20-5-3-2-4-6-20)31(28,29)21-7-8-23(25-15-21)30-16-22(27)24-12-17-9-18(13-24)11-19(10-17)14-24/h7-8,15,17-20H,2-6,9-14,16H2,1H3.
What are the key properties of 6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-N-cyclohexyl-N-methylpyridine-3-sulfonamide?
6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-N-cyclohexyl-N-methylpyridine-3-sulfonamide has a molecular weight of 462.68 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-N-cyclohexyl-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 24530973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).