N-[(3-ethoxyphenyl)methyl]-3-methylsulfonylpyridin-2-amine

C15H18N2O3S — CID 114598676

IUPACN-[(3-ethoxyphenyl)methyl]-3-methylsulfonylpyridin-2-amine
SMILESCCOc1cccc(CNc2ncccc2S(C)(=O)=O)c1
InChIInChI=1S/C15H18N2O3S/c1-3-20-13-7-4-6-12(10-13)11-17-15-14(21(2,18)19)8-5-9-16-15/h4-10H,3,11H2,1-2H3,(H,16,17)
InChIKeyRBJGCHBPRRVTES-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.50
Rot. Bonds6

About N-[(3-ethoxyphenyl)methyl]-3-methylsulfonylpyridin-2-amine

N-[(3-ethoxyphenyl)methyl]-3-methylsulfonylpyridin-2-amine (PubChem CID 114598676) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-3-methylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-3-methylsulfonylpyridin-2-amine
PubChem CID114598676
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-[(3-ethoxyphenyl)methyl]-3-methylsulfonylpyridin-2-amine
SMILESCCOc1cccc(CNc2ncccc2S(C)(=O)=O)c1
InChIInChI=1S/C15H18N2O3S/c1-3-20-13-7-4-6-12(10-13)11-17-15-14(21(2,18)19)8-5-9-16-15/h4-10H,3,11H2,1-2H3,(H,16,17)
InChIKeyRBJGCHBPRRVTES-UHFFFAOYSA-N
XLogP2.50
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]phenyl]methanol
CID 114599421
2-ethoxy-N-[(3-ethoxyphenyl)methyl]pyridin-3-amine
CID 60874271
N-[[4-(chloromethyl)phenyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 107233152
N-[(3-ethoxyphenyl)methyl]furo[3,2-c]pyridin-4-amine
CID 103702660
3-[(3-ethoxyphenyl)methylamino]-1-propylpyrazin-2-one
CID 62940904
N-[(3-ethoxyphenyl)methyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133317332
2-N-[(3-methoxyphenyl)methyl]pyridine-2,3-diamine
CID 61029303
N-[(3-ethoxyphenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 54905042
3-methylsulfonyl-N-prop-2-enylpyridin-2-amine
CID 114598823
N-[(3-ethoxyphenyl)methyl]-2-ethylsulfonylethanamine
CID 60871815
4-N-[(3-ethoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 115612215
N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 114598692

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-3-methylsulfonylpyridin-2-amine?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-3-methylsulfonylpyridin-2-amine (CID 114598676) is N-[(3-ethoxyphenyl)methyl]-3-methylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-3-methylsulfonylpyridin-2-amine?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-3-methylsulfonylpyridin-2-amine is CCOc1cccc(CNc2ncccc2S(C)(=O)=O)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-3-methylsulfonylpyridin-2-amine?
The InChIKey is RBJGCHBPRRVTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-3-20-13-7-4-6-12(10-13)11-17-15-14(21(2,18)19)8-5-9-16-15/h4-10H,3,11H2,1-2H3,(H,16,17).
What are the key properties of N-[(3-ethoxyphenyl)methyl]-3-methylsulfonylpyridin-2-amine?
N-[(3-ethoxyphenyl)methyl]-3-methylsulfonylpyridin-2-amine has a molecular weight of 306.39 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-3-methylsulfonylpyridin-2-amine is sourced from PubChem (CID 114598676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).