6-methoxy-N-(3-methylsulfonylpropyl)pyridin-2-amine

C10H16N2O3S — CID 63591649

IUPAC6-methoxy-N-(3-methylsulfonylpropyl)pyridin-2-amine
SMILESCOc1cccc(NCCCS(C)(=O)=O)n1
InChIInChI=1S/C10H16N2O3S/c1-15-10-6-3-5-9(12-10)11-7-4-8-16(2,13)14/h3,5-6H,4,7-8H2,1-2H3,(H,11,12)
InChIKeyOGLJRCGVMIVJIP-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.94
Rot. Bonds6

About 6-methoxy-N-(3-methylsulfonylpropyl)pyridin-2-amine

6-methoxy-N-(3-methylsulfonylpropyl)pyridin-2-amine (PubChem CID 63591649) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 6-methoxy-N-(3-methylsulfonylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name6-methoxy-N-(3-methylsulfonylpropyl)pyridin-2-amine
PubChem CID63591649
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name6-methoxy-N-(3-methylsulfonylpropyl)pyridin-2-amine
SMILESCOc1cccc(NCCCS(C)(=O)=O)n1
InChIInChI=1S/C10H16N2O3S/c1-15-10-6-3-5-9(12-10)11-7-4-8-16(2,13)14/h3,5-6H,4,7-8H2,1-2H3,(H,11,12)
InChIKeyOGLJRCGVMIVJIP-UHFFFAOYSA-N
XLogP0.94
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-N-(3-methylsulfanylpropyl)pyridin-2-amine
CID 63965720
6-[(6-methoxy-2-pyridinyl)amino]hexan-1-ol
CID 107848852
6-(3-methylsulfonylpropylamino)pyridine-2-carbothioamide
CID 64587863
2-[3-[(6-methoxy-2-pyridinyl)amino]propoxy]ethanol
CID 106307016
6-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 63965022
N-(6-methoxy-2-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 63590212
6-methoxy-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 104762395
N-(6-methoxy-2-pyridinyl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 63591094
3-[(6-methoxy-2-pyridinyl)amino]-N,N-dimethylpropanamide
CID 63590933
3-[2-[(6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83112211
3-[(6-bromo-2-pyridinyl)amino]propane-1-sulfonamide
CID 63961528
6-methoxy-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 63589886

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(3-methylsulfonylpropyl)pyridin-2-amine?
The IUPAC name of 6-methoxy-N-(3-methylsulfonylpropyl)pyridin-2-amine (CID 63591649) is 6-methoxy-N-(3-methylsulfonylpropyl)pyridin-2-amine.
What is the SMILES notation for 6-methoxy-N-(3-methylsulfonylpropyl)pyridin-2-amine?
The canonical SMILES for 6-methoxy-N-(3-methylsulfonylpropyl)pyridin-2-amine is COc1cccc(NCCCS(C)(=O)=O)n1.
What is the InChIKey of 6-methoxy-N-(3-methylsulfonylpropyl)pyridin-2-amine?
The InChIKey is OGLJRCGVMIVJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-15-10-6-3-5-9(12-10)11-7-4-8-16(2,13)14/h3,5-6H,4,7-8H2,1-2H3,(H,11,12).
What are the key properties of 6-methoxy-N-(3-methylsulfonylpropyl)pyridin-2-amine?
6-methoxy-N-(3-methylsulfonylpropyl)pyridin-2-amine has a molecular weight of 244.32 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(3-methylsulfonylpropyl)pyridin-2-amine is sourced from PubChem (CID 63591649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).