N-methyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridin-2-amine

C18H23N3O2S — CID 163344050

IUPACN-methyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridin-2-amine
SMILESCN(c1ccccn1)C1CCN(c2ccc(S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C18H23N3O2S/c1-20(18-5-3-4-12-19-18)15-10-13-21(14-11-15)16-6-8-17(9-7-16)24(2,22)23/h3-9,12,15H,10-11,13-14H2,1-2H3
InChIKeyAXMPZGWDQHNAQE-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.59
Rot. Bonds4

About N-methyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridin-2-amine

N-methyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridin-2-amine (PubChem CID 163344050) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-methyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridin-2-amine
PubChem CID163344050
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-methyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridin-2-amine
SMILESCN(c1ccccn1)C1CCN(c2ccc(S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C18H23N3O2S/c1-20(18-5-3-4-12-19-18)15-10-13-21(14-11-15)16-6-8-17(9-7-16)24(2,22)23/h3-9,12,15H,10-11,13-14H2,1-2H3
InChIKeyAXMPZGWDQHNAQE-UHFFFAOYSA-N
XLogP2.59
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Sulfapyridine
CID 5336
Isothipendyl
CID 3781
Prothipendyl
CID 14670
Isothipendyl Hydrochloride
CID 14668
4-[(2s)-4-[(6-Aminopyridin-3-Yl)sulfonyl]-2-(Prop-1-Yn-1-Yl)piperazin-1-Yl]-N-Methylbenzenesulfonamide
CID 73332274
5-{[(3s)-3-(Prop-1-Yn-1-Yl)-4-{4-[s-(Trifluoromethyl)sulfonimidoyl]phenyl}piperazin-1-Yl]sulfonyl}pyridin-2-Amine
CID 90065461
Prothipendyl Hydrochloride
CID 14669
4-pyridin-2-yl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
CID 122187640
1-[3-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]propyl]-4-pyridin-2-ylpiperazine
CID 168271260
1-{2-[(4-Fluorophenyl)sulfonyl]ethyl}-4-(2-pyridinyl)piperazine
CID 2810612
1-[(2,5-Difluorophenyl)sulfonyl]-4-(2-pyridinyl)piperazine
CID 6466285
3-(Benzenesulfonyl)-7-methyl-2-[(5-methyl-2-pyridinyl)imino]pyrido[1,2-a]pyrimidin-4-amine
CID 10341241

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridin-2-amine?
The IUPAC name of N-methyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridin-2-amine (CID 163344050) is N-methyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridin-2-amine.
What is the SMILES notation for N-methyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridin-2-amine?
The canonical SMILES for N-methyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridin-2-amine is CN(c1ccccn1)C1CCN(c2ccc(S(C)(=O)=O)cc2)CC1.
What is the InChIKey of N-methyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridin-2-amine?
The InChIKey is AXMPZGWDQHNAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-20(18-5-3-4-12-19-18)15-10-13-21(14-11-15)16-6-8-17(9-7-16)24(2,22)23/h3-9,12,15H,10-11,13-14H2,1-2H3.
What are the key properties of N-methyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridin-2-amine?
N-methyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridin-2-amine has a molecular weight of 345.47 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridin-2-amine is sourced from PubChem (CID 163344050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).