2-[(3-methoxyphenyl)sulfonylmethyl]-3,5-dimethylpyridin-4-amine

C15H18N2O3S — CID 103183508

IUPAC2-[(3-methoxyphenyl)sulfonylmethyl]-3,5-dimethylpyridin-4-amine
SMILESCOc1cccc(S(=O)(=O)Cc2ncc(C)c(N)c2C)c1
InChIInChI=1S/C15H18N2O3S/c1-10-8-17-14(11(2)15(10)16)9-21(18,19)13-6-4-5-12(7-13)20-3/h4-8H,9H2,1-3H3,(H2,16,17)
InChIKeyBDUBQGOORBFIOC-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.26
Rot. Bonds4

About 2-[(3-methoxyphenyl)sulfonylmethyl]-3,5-dimethylpyridin-4-amine

2-[(3-methoxyphenyl)sulfonylmethyl]-3,5-dimethylpyridin-4-amine (PubChem CID 103183508) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)sulfonylmethyl]-3,5-dimethylpyridin-4-amine.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)sulfonylmethyl]-3,5-dimethylpyridin-4-amine
PubChem CID103183508
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2-[(3-methoxyphenyl)sulfonylmethyl]-3,5-dimethylpyridin-4-amine
SMILESCOc1cccc(S(=O)(=O)Cc2ncc(C)c(N)c2C)c1
InChIInChI=1S/C15H18N2O3S/c1-10-8-17-14(11(2)15(10)16)9-21(18,19)13-6-4-5-12(7-13)20-3/h4-8H,9H2,1-3H3,(H2,16,17)
InChIKeyBDUBQGOORBFIOC-UHFFFAOYSA-N
XLogP2.26
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-methoxyphenyl)sulfonylmethyl]aniline
CID 43444318
[3-[(3-methoxyphenyl)sulfonylmethyl]-2-pyridinyl]methanamine
CID 64697383
4-methoxy-3-[(3-methoxyphenyl)sulfonylmethyl]aniline
CID 43444316
1-(fluoromethylsulfonyl)-3-methoxybenzene
CID 84721809
3-methoxybenzenesulfonamide
CID 14763060
3,5-dimethyl-2-(naphthalen-2-yloxymethyl)pyridin-4-amine
CID 103183022
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CID 141115301
6-[(3-methoxyphenyl)sulfonylmethyl]pyridine-2-carboxylic acid
CID 106903815
1-(benzenesulfonylmethyl)-3-methoxybenzene;ethane
CID 176977930
2-(3-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanamine
CID 64646152
5-[(3-methoxyphenyl)sulfonylmethyl]-3-propyl-1,2,4-oxadiazole
CID 47218244
3-(3-methoxyphenyl)sulfonylpropanoic acid
CID 16786519

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)sulfonylmethyl]-3,5-dimethylpyridin-4-amine?
The IUPAC name of 2-[(3-methoxyphenyl)sulfonylmethyl]-3,5-dimethylpyridin-4-amine (CID 103183508) is 2-[(3-methoxyphenyl)sulfonylmethyl]-3,5-dimethylpyridin-4-amine.
What is the SMILES notation for 2-[(3-methoxyphenyl)sulfonylmethyl]-3,5-dimethylpyridin-4-amine?
The canonical SMILES for 2-[(3-methoxyphenyl)sulfonylmethyl]-3,5-dimethylpyridin-4-amine is COc1cccc(S(=O)(=O)Cc2ncc(C)c(N)c2C)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)sulfonylmethyl]-3,5-dimethylpyridin-4-amine?
The InChIKey is BDUBQGOORBFIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-10-8-17-14(11(2)15(10)16)9-21(18,19)13-6-4-5-12(7-13)20-3/h4-8H,9H2,1-3H3,(H2,16,17).
What are the key properties of 2-[(3-methoxyphenyl)sulfonylmethyl]-3,5-dimethylpyridin-4-amine?
2-[(3-methoxyphenyl)sulfonylmethyl]-3,5-dimethylpyridin-4-amine has a molecular weight of 306.39 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)sulfonylmethyl]-3,5-dimethylpyridin-4-amine is sourced from PubChem (CID 103183508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).