5-methoxy-N-(4-methylsulfinylbutan-2-yl)pyridin-2-amine

C11H18N2O2S — CID 106504278

IUPAC5-methoxy-N-(4-methylsulfinylbutan-2-yl)pyridin-2-amine
SMILESCOc1ccc(NC(C)CCS(C)=O)nc1
InChIInChI=1S/C11H18N2O2S/c1-9(6-7-16(3)14)13-11-5-4-10(15-2)8-12-11/h4-5,8-9H,6-7H2,1-3H3,(H,12,13)
InChIKeyMTUJGXTVOGZFPI-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.66
Rot. Bonds6

About 5-methoxy-N-(4-methylsulfinylbutan-2-yl)pyridin-2-amine

5-methoxy-N-(4-methylsulfinylbutan-2-yl)pyridin-2-amine (PubChem CID 106504278) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 5-methoxy-N-(4-methylsulfinylbutan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-methoxy-N-(4-methylsulfinylbutan-2-yl)pyridin-2-amine
PubChem CID106504278
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name5-methoxy-N-(4-methylsulfinylbutan-2-yl)pyridin-2-amine
SMILESCOc1ccc(NC(C)CCS(C)=O)nc1
InChIInChI=1S/C11H18N2O2S/c1-9(6-7-16(3)14)13-11-5-4-10(15-2)8-12-11/h4-5,8-9H,6-7H2,1-3H3,(H,12,13)
InChIKeyMTUJGXTVOGZFPI-UHFFFAOYSA-N
XLogP1.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-N-(4-methoxybutan-2-yl)pyridin-2-amine
CID 103932146
N-hexan-2-yl-5-methoxypyridin-2-amine
CID 103932159
2-[(5-methoxy-2-pyridinyl)amino]propanamide
CID 106503979
N-(4-methylsulfinylbutan-2-yl)quinolin-2-amine
CID 113260886
6-(4-methylsulfinylbutan-2-ylamino)pyridazine-3-carboxamide
CID 113260885
2-N-(5-methoxy-2-pyridinyl)-3-methylbutane-1,2-diamine
CID 106504441
5-methoxy-N-octan-4-ylpyridin-2-amine
CID 114138454
2-[(5-methoxy-2-pyridinyl)amino]-N-propylpropanamide
CID 106504045
N-[1-(4-aminophenyl)ethyl]-5-methoxypyridin-2-amine
CID 106504528
N-[1-(furan-2-yl)ethyl]-5-methoxypyridin-2-amine
CID 103932113
4-methoxy-6-methyl-N-(4-methylsulfinylbutan-2-yl)pyrimidin-2-amine
CID 115669300
N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyridin-2-amine
CID 169237349

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(4-methylsulfinylbutan-2-yl)pyridin-2-amine?
The IUPAC name of 5-methoxy-N-(4-methylsulfinylbutan-2-yl)pyridin-2-amine (CID 106504278) is 5-methoxy-N-(4-methylsulfinylbutan-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-methoxy-N-(4-methylsulfinylbutan-2-yl)pyridin-2-amine?
The canonical SMILES for 5-methoxy-N-(4-methylsulfinylbutan-2-yl)pyridin-2-amine is COc1ccc(NC(C)CCS(C)=O)nc1.
What is the InChIKey of 5-methoxy-N-(4-methylsulfinylbutan-2-yl)pyridin-2-amine?
The InChIKey is MTUJGXTVOGZFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-9(6-7-16(3)14)13-11-5-4-10(15-2)8-12-11/h4-5,8-9H,6-7H2,1-3H3,(H,12,13).
What are the key properties of 5-methoxy-N-(4-methylsulfinylbutan-2-yl)pyridin-2-amine?
5-methoxy-N-(4-methylsulfinylbutan-2-yl)pyridin-2-amine has a molecular weight of 242.34 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(4-methylsulfinylbutan-2-yl)pyridin-2-amine is sourced from PubChem (CID 106504278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).