6-methoxy-2-(4-methylsulfanylazepan-1-yl)pyridin-3-amine

C13H21N3OS — CID 114236704

IUPAC6-methoxy-2-(4-methylsulfanylazepan-1-yl)pyridin-3-amine
SMILESCOc1ccc(N)c(N2CCCC(SC)CC2)n1
InChIInChI=1S/C13H21N3OS/c1-17-12-6-5-11(14)13(15-12)16-8-3-4-10(18-2)7-9-16/h5-6,10H,3-4,7-9,14H2,1-2H3
InChIKeyBLNWDKMOLKCVRT-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.39
Rot. Bonds3

About 6-methoxy-2-(4-methylsulfanylazepan-1-yl)pyridin-3-amine

6-methoxy-2-(4-methylsulfanylazepan-1-yl)pyridin-3-amine (PubChem CID 114236704) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 6-methoxy-2-(4-methylsulfanylazepan-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-methoxy-2-(4-methylsulfanylazepan-1-yl)pyridin-3-amine
PubChem CID114236704
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name6-methoxy-2-(4-methylsulfanylazepan-1-yl)pyridin-3-amine
SMILESCOc1ccc(N)c(N2CCCC(SC)CC2)n1
InChIInChI=1S/C13H21N3OS/c1-17-12-6-5-11(14)13(15-12)16-8-3-4-10(18-2)7-9-16/h5-6,10H,3-4,7-9,14H2,1-2H3
InChIKeyBLNWDKMOLKCVRT-UHFFFAOYSA-N
XLogP2.39
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-2-(4-propan-2-ylazepan-1-yl)pyridin-3-amine
CID 115320844
6-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine
CID 115320894
1-(3-amino-6-methoxy-2-pyridinyl)-4-methylpiperidin-4-ol
CID 115320981
2-(3-azabicyclo[3.3.1]nonan-3-yl)-6-methoxypyridin-3-amine
CID 114196245
1-(3-amino-6-methoxy-2-pyridinyl)pyrrolidine-3,4-diol
CID 106667349
2-(4-tert-butylpiperazin-1-yl)-6-methoxypyridin-3-amine
CID 115320517
4-fluoro-2-(4-methylsulfanylazepan-1-yl)aniline
CID 114236681
5-bromo-2-(4-methylsulfanylazepan-1-yl)pyridin-3-amine
CID 114236680
6-methyl-2-piperidin-1-ylpyridin-3-amine
CID 10655347
6-methyl-2-(4-methylsulfanylazepan-1-yl)pyridine-3-carbonitrile
CID 114237200
6-methoxy-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridin-3-amine
CID 115320947
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-methoxypyridin-3-amine
CID 115320628

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(4-methylsulfanylazepan-1-yl)pyridin-3-amine?
The IUPAC name of 6-methoxy-2-(4-methylsulfanylazepan-1-yl)pyridin-3-amine (CID 114236704) is 6-methoxy-2-(4-methylsulfanylazepan-1-yl)pyridin-3-amine.
What is the SMILES notation for 6-methoxy-2-(4-methylsulfanylazepan-1-yl)pyridin-3-amine?
The canonical SMILES for 6-methoxy-2-(4-methylsulfanylazepan-1-yl)pyridin-3-amine is COc1ccc(N)c(N2CCCC(SC)CC2)n1.
What is the InChIKey of 6-methoxy-2-(4-methylsulfanylazepan-1-yl)pyridin-3-amine?
The InChIKey is BLNWDKMOLKCVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-17-12-6-5-11(14)13(15-12)16-8-3-4-10(18-2)7-9-16/h5-6,10H,3-4,7-9,14H2,1-2H3.
What are the key properties of 6-methoxy-2-(4-methylsulfanylazepan-1-yl)pyridin-3-amine?
6-methoxy-2-(4-methylsulfanylazepan-1-yl)pyridin-3-amine has a molecular weight of 267.40 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(4-methylsulfanylazepan-1-yl)pyridin-3-amine is sourced from PubChem (CID 114236704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).