2-methoxy-N-(4-methoxyphenyl)sulfanyl-5-propan-2-ylpyridin-3-amine

C16H20N2O2S — CID 144901491

IUPAC2-methoxy-N-(4-methoxyphenyl)sulfanyl-5-propan-2-ylpyridin-3-amine
SMILESCOc1ccc(SNc2cc(C(C)C)cnc2OC)cc1
InChIInChI=1S/C16H20N2O2S/c1-11(2)12-9-15(16(20-4)17-10-12)18-21-14-7-5-13(19-3)6-8-14/h5-11,18H,1-4H3
InChIKeyFZHCGRBPXXYCOU-UHFFFAOYSA-N
MW304.42 g/mol
LogP4.34
Rot. Bonds6

About 2-methoxy-N-(4-methoxyphenyl)sulfanyl-5-propan-2-ylpyridin-3-amine

2-methoxy-N-(4-methoxyphenyl)sulfanyl-5-propan-2-ylpyridin-3-amine (PubChem CID 144901491) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-methoxy-N-(4-methoxyphenyl)sulfanyl-5-propan-2-ylpyridin-3-amine.

Molecular Properties

Compound Name2-methoxy-N-(4-methoxyphenyl)sulfanyl-5-propan-2-ylpyridin-3-amine
PubChem CID144901491
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name2-methoxy-N-(4-methoxyphenyl)sulfanyl-5-propan-2-ylpyridin-3-amine
SMILESCOc1ccc(SNc2cc(C(C)C)cnc2OC)cc1
InChIInChI=1S/C16H20N2O2S/c1-11(2)12-9-15(16(20-4)17-10-12)18-21-14-7-5-13(19-3)6-8-14/h5-11,18H,1-4H3
InChIKeyFZHCGRBPXXYCOU-UHFFFAOYSA-N
XLogP4.34
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxyphenyl)-5-propan-2-ylpyridine
CID 59144720
N-[4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]sulfanyl-1-(4-methoxyphenyl)ethanamine
CID 170592723
carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium
CID 157263215
2-methoxy-N-(1-naphthalen-2-ylethyl)pyridin-3-amine
CID 43721905
N-[(4-methoxyphenyl)methyl]-5-propan-2-ylpyridin-2-amine
CID 118954417
ethane;methane;N-(4-methoxyphenyl)sulfanylmethanamine
CID 169189354
(4-methoxyphenyl)sulfanyl-tri(propan-2-yl)silane
CID 86176309
1-methoxy-4-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene
CID 163393243
3-[(4-methoxyphenyl)-naphthalen-2-ylsulfanylmethyl]pyridine
CID 45270243
2-methoxy-3-(methylsulfonylmethyl)-5-propan-2-ylpyridine
CID 157074482
1-(4-methoxyphenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfanylethanamine
CID 168886794
N-(4-aminophenyl)sulfanyl-5,6-dimethoxypyrimidin-4-amine
CID 118374959

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(4-methoxyphenyl)sulfanyl-5-propan-2-ylpyridin-3-amine?
The IUPAC name of 2-methoxy-N-(4-methoxyphenyl)sulfanyl-5-propan-2-ylpyridin-3-amine (CID 144901491) is 2-methoxy-N-(4-methoxyphenyl)sulfanyl-5-propan-2-ylpyridin-3-amine.
What is the SMILES notation for 2-methoxy-N-(4-methoxyphenyl)sulfanyl-5-propan-2-ylpyridin-3-amine?
The canonical SMILES for 2-methoxy-N-(4-methoxyphenyl)sulfanyl-5-propan-2-ylpyridin-3-amine is COc1ccc(SNc2cc(C(C)C)cnc2OC)cc1.
What is the InChIKey of 2-methoxy-N-(4-methoxyphenyl)sulfanyl-5-propan-2-ylpyridin-3-amine?
The InChIKey is FZHCGRBPXXYCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11(2)12-9-15(16(20-4)17-10-12)18-21-14-7-5-13(19-3)6-8-14/h5-11,18H,1-4H3.
What are the key properties of 2-methoxy-N-(4-methoxyphenyl)sulfanyl-5-propan-2-ylpyridin-3-amine?
2-methoxy-N-(4-methoxyphenyl)sulfanyl-5-propan-2-ylpyridin-3-amine has a molecular weight of 304.42 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(4-methoxyphenyl)sulfanyl-5-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 144901491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).