N-[(4-methylsulfinylphenyl)methyl]-5-piperidin-1-ylpyridin-2-amine

C18H23N3OS — CID 71914515

IUPACN-[(4-methylsulfinylphenyl)methyl]-5-piperidin-1-ylpyridin-2-amine
SMILESCS(=O)c1ccc(CNc2ccc(N3CCCCC3)cn2)cc1
InChIInChI=1S/C18H23N3OS/c1-23(22)17-8-5-15(6-9-17)13-19-18-10-7-16(14-20-18)21-11-3-2-4-12-21/h5-10,14H,2-4,11-13H2,1H3,(H,19,20)
InChIKeyHMQMSGYTOQNGFA-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.42
Rot. Bonds5

About N-[(4-methylsulfinylphenyl)methyl]-5-piperidin-1-ylpyridin-2-amine

N-[(4-methylsulfinylphenyl)methyl]-5-piperidin-1-ylpyridin-2-amine (PubChem CID 71914515) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-[(4-methylsulfinylphenyl)methyl]-5-piperidin-1-ylpyridin-2-amine.

Molecular Properties

Compound NameN-[(4-methylsulfinylphenyl)methyl]-5-piperidin-1-ylpyridin-2-amine
PubChem CID71914515
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-[(4-methylsulfinylphenyl)methyl]-5-piperidin-1-ylpyridin-2-amine
SMILESCS(=O)c1ccc(CNc2ccc(N3CCCCC3)cn2)cc1
InChIInChI=1S/C18H23N3OS/c1-23(22)17-8-5-15(6-9-17)13-19-18-10-7-16(14-20-18)21-11-3-2-4-12-21/h5-10,14H,2-4,11-13H2,1H3,(H,19,20)
InChIKeyHMQMSGYTOQNGFA-UHFFFAOYSA-N
XLogP3.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,1,3-benzothiadiazol-5-ylmethyl)-5-pyrrolidin-1-ylpyridin-2-amine
CID 167859881
4-[(R)-methylsulfinyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35616767
4-[(S)-methylsulfinyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35616770
5-(difluoromethoxy)-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine
CID 84593683
N-[[4-(azocan-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63061073
5-piperidin-1-yl-N-[(2-pyridin-4-ylpyrazol-3-yl)methyl]pyridin-2-amine
CID 146135697
N-[5-(azepan-1-yl)-2-pyridinyl]propanamide
CID 39072195
4-bromo-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]pyridin-2-amine
CID 99786108
N-[(1R)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]-5-morpholin-4-ylpyridin-2-amine
CID 97337921
N-propan-2-yl-5-pyrrolidin-1-ylpyridin-2-amine
CID 115917830
3-[(4-hydroxyphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrazole-4-carboxamide
CID 121432052
N-methyl-6-[(4-morpholin-4-ylphenyl)methylamino]pyridine-3-sulfonamide
CID 133298461

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfinylphenyl)methyl]-5-piperidin-1-ylpyridin-2-amine?
The IUPAC name of N-[(4-methylsulfinylphenyl)methyl]-5-piperidin-1-ylpyridin-2-amine (CID 71914515) is N-[(4-methylsulfinylphenyl)methyl]-5-piperidin-1-ylpyridin-2-amine.
What is the SMILES notation for N-[(4-methylsulfinylphenyl)methyl]-5-piperidin-1-ylpyridin-2-amine?
The canonical SMILES for N-[(4-methylsulfinylphenyl)methyl]-5-piperidin-1-ylpyridin-2-amine is CS(=O)c1ccc(CNc2ccc(N3CCCCC3)cn2)cc1.
What is the InChIKey of N-[(4-methylsulfinylphenyl)methyl]-5-piperidin-1-ylpyridin-2-amine?
The InChIKey is HMQMSGYTOQNGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-23(22)17-8-5-15(6-9-17)13-19-18-10-7-16(14-20-18)21-11-3-2-4-12-21/h5-10,14H,2-4,11-13H2,1H3,(H,19,20).
What are the key properties of N-[(4-methylsulfinylphenyl)methyl]-5-piperidin-1-ylpyridin-2-amine?
N-[(4-methylsulfinylphenyl)methyl]-5-piperidin-1-ylpyridin-2-amine has a molecular weight of 329.47 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfinylphenyl)methyl]-5-piperidin-1-ylpyridin-2-amine is sourced from PubChem (CID 71914515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).