N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfonylpyridin-2-amine

C15H18N2O3S — CID 114598692

IUPACN-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfonylpyridin-2-amine
SMILESCOCc1ccccc1CNc1ncccc1S(C)(=O)=O
InChIInChI=1S/C15H18N2O3S/c1-20-11-13-7-4-3-6-12(13)10-17-15-14(21(2,18)19)8-5-9-16-15/h3-9H,10-11H2,1-2H3,(H,16,17)
InChIKeyIYCMMSAKANQRME-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.24
Rot. Bonds6

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

N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfonylpyridin-2-amine (PubChem CID 114598692) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfonylpyridin-2-amine
PubChem CID114598692
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfonylpyridin-2-amine
SMILESCOCc1ccccc1CNc1ncccc1S(C)(=O)=O
InChIInChI=1S/C15H18N2O3S/c1-20-11-13-7-4-3-6-12(13)10-17-15-14(21(2,18)19)8-5-9-16-15/h3-9H,10-11H2,1-2H3,(H,16,17)
InChIKeyIYCMMSAKANQRME-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(methoxymethyl)phenyl]methyl]-2-methylpyridin-3-amine
CID 79041996
N-[[4-(chloromethyl)phenyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 107233152
2-[[2-[(2-chlorophenoxy)methyl]phenyl]methylamino]pyridine-3-sulfonamide
CID 133353559
N'-(3-methylsulfonyl-2-pyridinyl)-N-propylethane-1,2-diamine
CID 114599239
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfonylpyridin-2-amine
CID 114599022
N-[(5-methylpyrazin-2-yl)methyl]-3-methylsulfonylpyridin-2-amine
CID 114598850
N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfonylpyridin-2-amine
CID 114598870
3-methylsulfonyl-N-prop-2-enylpyridin-2-amine
CID 114598823
3-(methoxymethyl)-N-methylpyridin-2-amine
CID 62464572
[3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]phenyl]methanol
CID 114599421
N-(1-methoxy-3-methylbutan-2-yl)-3-methylsulfonylpyridin-2-amine
CID 114598927
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 106544677

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfonylpyridin-2-amine?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfonylpyridin-2-amine (CID 114598692) is N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfonylpyridin-2-amine?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfonylpyridin-2-amine is COCc1ccccc1CNc1ncccc1S(C)(=O)=O.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfonylpyridin-2-amine?
The InChIKey is IYCMMSAKANQRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-20-11-13-7-4-3-6-12(13)10-17-15-14(21(2,18)19)8-5-9-16-15/h3-9H,10-11H2,1-2H3,(H,16,17).
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfonylpyridin-2-amine?
N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfonylpyridin-2-amine has a molecular weight of 306.39 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfonylpyridin-2-amine is sourced from PubChem (CID 114598692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).