N-[2-[(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide

C18H27N3O2S — CID 95227221

IUPACN-[2-[(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide
SMILESCc1c(CN2CCC[C@H](CCNS(C)(=O)=O)C2)[nH]c2ccccc12
InChIInChI=1S/C18H27N3O2S/c1-14-16-7-3-4-8-17(16)20-18(14)13-21-11-5-6-15(12-21)9-10-19-24(2,22)23/h3-4,7-8,15,19-20H,5-6,9-13H2,1-2H3/t15-/m1/s1
InChIKeyQPTDZAIAHACBQH-OAHLLOKOSA-N
MW349.50 g/mol
LogP2.63
Rot. Bonds6

About N-[2-[(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide

N-[2-[(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide (PubChem CID 95227221) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is N-[2-[(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide
PubChem CID95227221
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC NameN-[2-[(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide
SMILESCc1c(CN2CCC[C@H](CCNS(C)(=O)=O)C2)[nH]c2ccccc12
InChIInChI=1S/C18H27N3O2S/c1-14-16-7-3-4-8-17(16)20-18(14)13-21-11-5-6-15(12-21)9-10-19-24(2,22)23/h3-4,7-8,15,19-20H,5-6,9-13H2,1-2H3/t15-/m1/s1
InChIKeyQPTDZAIAHACBQH-OAHLLOKOSA-N
XLogP2.63
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

[(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]methanol
CID 95857188
2-[[(3S)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-3-methyl-1H-indole
CID 31048886
N-[2-[(3S)-1-[(6-chloro-3-pyridinyl)methyl]piperidin-3-yl]ethyl]methanesulfonamide
CID 95202887
N-[2-[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]ethyl]methanesulfonamide
CID 56741459
N-[2-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]ethyl]methanesulfonamide
CID 56739005
2-[[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-3-methyl-1H-indole
CID 29219340
N-[[1-[(3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide
CID 56709660
N-[[(3S)-1-[(3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide
CID 95212657
N-[[(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide
CID 95212656
N-[[(3R)-1-[(8-methylquinolin-5-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide
CID 95218558
2-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-3-methyl-1H-indole
CID 69433637
N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]methanesulfonamide
CID 56804774

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide (CID 95227221) is N-[2-[(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide is Cc1c(CN2CCC[C@H](CCNS(C)(=O)=O)C2)[nH]c2ccccc12.
What is the InChIKey of N-[2-[(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide?
The InChIKey is QPTDZAIAHACBQH-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-14-16-7-3-4-8-17(16)20-18(14)13-21-11-5-6-15(12-21)9-10-19-24(2,22)23/h3-4,7-8,15,19-20H,5-6,9-13H2,1-2H3/t15-/m1/s1.
What are the key properties of N-[2-[(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide?
N-[2-[(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide has a molecular weight of 349.50 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 95227221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).