6-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine

C18H23N3O2S — CID 133481721

IUPAC6-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine
SMILESCc1cccc(NCc2ccccc2S(=O)(=O)N2CCCCC2)n1
InChIInChI=1S/C18H23N3O2S/c1-15-8-7-11-18(20-15)19-14-16-9-3-4-10-17(16)24(22,23)21-12-5-2-6-13-21/h3-4,7-11H,2,5-6,12-14H2,1H3,(H,19,20)
InChIKeyWLYMBCOJPWYEMZ-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.18
Rot. Bonds5

About 6-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine

6-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine (PubChem CID 133481721) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 6-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine
PubChem CID133481721
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name6-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine
SMILESCc1cccc(NCc2ccccc2S(=O)(=O)N2CCCCC2)n1
InChIInChI=1S/C18H23N3O2S/c1-15-8-7-11-18(20-15)19-14-16-9-3-4-10-17(16)24(22,23)21-12-5-2-6-13-21/h3-4,7-11H,2,5-6,12-14H2,1H3,(H,19,20)
InChIKeyWLYMBCOJPWYEMZ-UHFFFAOYSA-N
XLogP3.18
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-2-carboxylic acid
CID 122053220
N-[(2-piperidin-1-ylsulfonylphenyl)methyl]cyclopentanamine
CID 75414784
1-[2-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide
CID 86816133
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine
CID 119110991
N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine
CID 119109932
N-(6-methyl-2-pyridinyl)-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935097
1-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-4-carboxamide
CID 51321501
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(6-methyl-2-pyridinyl)propanamide
CID 35036483
2-methyl-1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-propan-2-ylguanidine
CID 111123793
N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-6-methylpyridin-2-amine
CID 56806983
1-benzyl-2-methyl-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]guanidine
CID 110952470
N-[(2-methoxyphenyl)methyl]-6-methylpyridin-2-amine
CID 975932

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine?
The IUPAC name of 6-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine (CID 133481721) is 6-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 6-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine is Cc1cccc(NCc2ccccc2S(=O)(=O)N2CCCCC2)n1.
What is the InChIKey of 6-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine?
The InChIKey is WLYMBCOJPWYEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-15-8-7-11-18(20-15)19-14-16-9-3-4-10-17(16)24(22,23)21-12-5-2-6-13-21/h3-4,7-11H,2,5-6,12-14H2,1H3,(H,19,20).
What are the key properties of 6-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine?
6-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine has a molecular weight of 345.47 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 133481721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).