(2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperidine-1-sulfonamide

C15H25N3O3S — CID 94381377

IUPAC(2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperidine-1-sulfonamide
SMILESCOc1c(C)cnc(CNS(=O)(=O)N2CCCC[C@H]2C)c1C
InChIInChI=1S/C15H25N3O3S/c1-11-9-16-14(13(3)15(11)21-4)10-17-22(19,20)18-8-6-5-7-12(18)2/h9,12,17H,5-8,10H2,1-4H3/t12-/m1/s1
InChIKeyNUSQZQIDBLBVGD-GFCCVEGCSA-N
MW327.45 g/mol
LogP1.92
Rot. Bonds5

About (2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperidine-1-sulfonamide

(2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperidine-1-sulfonamide (PubChem CID 94381377) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is (2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperidine-1-sulfonamide
PubChem CID94381377
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name(2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperidine-1-sulfonamide
SMILESCOc1c(C)cnc(CNS(=O)(=O)N2CCCC[C@H]2C)c1C
InChIInChI=1S/C15H25N3O3S/c1-11-9-16-14(13(3)15(11)21-4)10-17-22(19,20)18-8-6-5-7-12(18)2/h9,12,17H,5-8,10H2,1-4H3/t12-/m1/s1
InChIKeyNUSQZQIDBLBVGD-GFCCVEGCSA-N
XLogP1.92
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylcyclopentan-1-amine
CID 63278062
N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]methanesulfonamide
CID 56804774
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-methylpiperidine-1-sulfonamide
CID 79524471
(2R)-N-[(4-chlorophenyl)methyl]-2-methylpiperidine-1-sulfonamide
CID 35288491
(2S)-N-[(2-chlorophenyl)methyl]-2-methylpiperidine-1-sulfonamide
CID 35293436
2-methyl-N-(1H-pyrrol-3-ylmethyl)piperidine-1-sulfonamide
CID 106386243
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]methanone
CID 172880976
N-(2,2-dimethoxyethyl)-2-methylpiperidine-1-sulfonamide
CID 62968211
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-ol
CID 62021333
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 63032394
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111387784
N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]cyclobutanecarboxamide
CID 171690391

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperidine-1-sulfonamide?
The IUPAC name of (2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperidine-1-sulfonamide (CID 94381377) is (2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for (2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for (2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperidine-1-sulfonamide is COc1c(C)cnc(CNS(=O)(=O)N2CCCC[C@H]2C)c1C.
What is the InChIKey of (2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperidine-1-sulfonamide?
The InChIKey is NUSQZQIDBLBVGD-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-11-9-16-14(13(3)15(11)21-4)10-17-22(19,20)18-8-6-5-7-12(18)2/h9,12,17H,5-8,10H2,1-4H3/t12-/m1/s1.
What are the key properties of (2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperidine-1-sulfonamide?
(2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperidine-1-sulfonamide has a molecular weight of 327.45 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 94381377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).