N-[(4-methoxyphenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine

C18H24N3O3S+ — CID 9282043

IUPACN-[(4-methoxyphenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine
SMILESCOc1ccc(CNc2ccc(S(=O)(=O)N3CCCCC3)c[nH+]2)cc1
InChIInChI=1S/C18H23N3O3S/c1-24-16-7-5-15(6-8-16)13-19-18-10-9-17(14-20-18)25(22,23)21-11-3-2-4-12-21/h5-10,14H,2-4,11-13H2,1H3,(H,19,20)/p+1
InChIKeyASHJSWKKFDCPJS-UHFFFAOYSA-O
MW362.48 g/mol
LogP2.30
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine

N-[(4-methoxyphenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine (PubChem CID 9282043) has the molecular formula C18H24N3O3S+ and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine
PubChem CID9282043
Molecular FormulaC18H24N3O3S+
Molecular Weight362.48 g/mol
Exact Mass362.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine
SMILESCOc1ccc(CNc2ccc(S(=O)(=O)N3CCCCC3)c[nH+]2)cc1
InChIInChI=1S/C18H23N3O3S/c1-24-16-7-5-15(6-8-16)13-19-18-10-9-17(14-20-18)25(22,23)21-11-3-2-4-12-21/h5-10,14H,2-4,11-13H2,1H3,(H,19,20)/p+1
InChIKeyASHJSWKKFDCPJS-UHFFFAOYSA-O
XLogP2.30
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine
CID 9251559
N-[(2-chlorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine
CID 9281567
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861827
N-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinazolin-4-amine
CID 155524525
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]guanidine;hydroiodide
CID 111181910
methyl 2-(4-piperidin-1-ylsulfonylphenoxy)acetate
CID 1082948
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylaniline
CID 110826196
1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684101
N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine
CID 9023748
2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875034
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1250198
(3S)-1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861869

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine (CID 9282043) is N-[(4-methoxyphenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine is COc1ccc(CNc2ccc(S(=O)(=O)N3CCCCC3)c[nH+]2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine?
The InChIKey is ASHJSWKKFDCPJS-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H23N3O3S/c1-24-16-7-5-15(6-8-16)13-19-18-10-9-17(14-20-18)25(22,23)21-11-3-2-4-12-21/h5-10,14H,2-4,11-13H2,1H3,(H,19,20)/p+1.
What are the key properties of N-[(4-methoxyphenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine?
N-[(4-methoxyphenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine has a molecular weight of 362.48 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine is sourced from PubChem (CID 9282043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).