N-[(3R,4S)-3-[[4-(1-methylindazol-6-yl)cyclohexyl]oxymethyl]piperidin-4-yl]methanesulfonamide

C21H32N4O3S — CID 170638579

IUPACN-[(3R,4S)-3-[[4-(1-methylindazol-6-yl)cyclohexyl]oxymethyl]piperidin-4-yl]methanesulfonamide
SMILESCn1ncc2ccc(C3CCC(OC[C@@H]4CNCC[C@@H]4NS(C)(=O)=O)CC3)cc21
InChIInChI=1S/C21H32N4O3S/c1-25-21-11-16(3-4-17(21)13-23-25)15-5-7-19(8-6-15)28-14-18-12-22-10-9-20(18)24-29(2,26)27/h3-4,11,13,15,18-20,22,24H,5-10,12,14H2,1-2H3/t15?,18-,19?,20-/m0/s1
InChIKeyQQFMRPMEEIRVDL-CYBJAVJLSA-N
MW420.58 g/mol
LogP2.14
Rot. Bonds6

About N-[(3R,4S)-3-[[4-(1-methylindazol-6-yl)cyclohexyl]oxymethyl]piperidin-4-yl]methanesulfonamide

N-[(3R,4S)-3-[[4-(1-methylindazol-6-yl)cyclohexyl]oxymethyl]piperidin-4-yl]methanesulfonamide (PubChem CID 170638579) has the molecular formula C21H32N4O3S and a molecular weight of 420.58 g/mol. Its IUPAC name is N-[(3R,4S)-3-[[4-(1-methylindazol-6-yl)cyclohexyl]oxymethyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-3-[[4-(1-methylindazol-6-yl)cyclohexyl]oxymethyl]piperidin-4-yl]methanesulfonamide
PubChem CID170638579
Molecular FormulaC21H32N4O3S
Molecular Weight420.58 g/mol
Exact Mass420.22
IUPAC NameN-[(3R,4S)-3-[[4-(1-methylindazol-6-yl)cyclohexyl]oxymethyl]piperidin-4-yl]methanesulfonamide
SMILESCn1ncc2ccc(C3CCC(OC[C@@H]4CNCC[C@@H]4NS(C)(=O)=O)CC3)cc21
InChIInChI=1S/C21H32N4O3S/c1-25-21-11-16(3-4-17(21)13-23-25)15-5-7-19(8-6-15)28-14-18-12-22-10-9-20(18)24-29(2,26)27/h3-4,11,13,15,18-20,22,24H,5-10,12,14H2,1-2H3/t15?,18-,19?,20-/m0/s1
InChIKeyQQFMRPMEEIRVDL-CYBJAVJLSA-N
XLogP2.14
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3R,4S)-3-[[4-(1-methylindazol-6-yl)cyclohexyl]oxymethyl]piperidin-4-yl]methanesulfonamide with MolForge

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Related Compounds

N-[(3R,4S)-3-[[4-(1-methylpyrazolo[3,4-c]pyridin-5-yl)cyclohexyl]oxymethyl]piperidin-4-yl]methanesulfonamide
CID 176829129
3-[[4-(1-methylindazol-5-yl)cyclohexyl]oxymethyl]-N-methylsulfanylpiperidin-4-amine
CID 170638488
ethane;3-[[4-(1-methylindazol-5-yl)cyclohexyl]oxymethyl]-N-methylsulfanylpiperidin-4-amine
CID 170638624
N-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[[4-(1-methylindazol-5-yl)cyclohexyl]oxymethyl]piperidin-4-yl]methanesulfonamide
CID 170638509
methyl (3R,4S)-4-(methanesulfonamido)-3-[[4-(1-methylindazol-5-yl)cyclohexyl]methoxy]piperidine-1-carboxylate
CID 170638731
tert-butyl 5-[4-[[4-(methylsulfanylamino)piperidin-3-yl]methoxy]cyclohexyl]benzimidazole-1-carboxylate;ethane
CID 170638544
N-[(3S)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide
CID 155054694
(3R,4S)-4-(dimethylsulfinamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidine;ethane;2-methylpyrazole-3-carboxylic acid
CID 170638258
2,2-dimethyl-1-[3-[[4-(1-methylindazol-5-yl)cyclohexyl]oxymethyl]-4-(methylsulfanylamino)piperidin-1-yl]propan-1-one
CID 170638497
N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-[(1S)-1-phenylethyl]piperidin-4-yl]methanesulfonamide
CID 164799393
N-[3-[(4-phenylcyclohexyl)oxymethyl]-1-[(1R)-1-phenylethyl]piperidin-4-yl]methanesulfonamide
CID 167125913
N-[(3R,4S)-3-[[4-(1-methylindazol-5-yl)cyclohexyl]methoxy]-1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]methanesulfonamide
CID 170638728

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-[[4-(1-methylindazol-6-yl)cyclohexyl]oxymethyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[(3R,4S)-3-[[4-(1-methylindazol-6-yl)cyclohexyl]oxymethyl]piperidin-4-yl]methanesulfonamide (CID 170638579) is N-[(3R,4S)-3-[[4-(1-methylindazol-6-yl)cyclohexyl]oxymethyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R,4S)-3-[[4-(1-methylindazol-6-yl)cyclohexyl]oxymethyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[(3R,4S)-3-[[4-(1-methylindazol-6-yl)cyclohexyl]oxymethyl]piperidin-4-yl]methanesulfonamide is Cn1ncc2ccc(C3CCC(OC[C@@H]4CNCC[C@@H]4NS(C)(=O)=O)CC3)cc21.
What is the InChIKey of N-[(3R,4S)-3-[[4-(1-methylindazol-6-yl)cyclohexyl]oxymethyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is QQFMRPMEEIRVDL-CYBJAVJLSA-N. The full InChI is InChI=1S/C21H32N4O3S/c1-25-21-11-16(3-4-17(21)13-23-25)15-5-7-19(8-6-15)28-14-18-12-22-10-9-20(18)24-29(2,26)27/h3-4,11,13,15,18-20,22,24H,5-10,12,14H2,1-2H3/t15?,18-,19?,20-/m0/s1.
What are the key properties of N-[(3R,4S)-3-[[4-(1-methylindazol-6-yl)cyclohexyl]oxymethyl]piperidin-4-yl]methanesulfonamide?
N-[(3R,4S)-3-[[4-(1-methylindazol-6-yl)cyclohexyl]oxymethyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 420.58 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-[[4-(1-methylindazol-6-yl)cyclohexyl]oxymethyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 170638579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).