N-(4-methylsulfinylbutan-2-yl)thieno[3,2-c]pyridin-4-amine

C12H16N2OS2 — CID 113260876

IUPACN-(4-methylsulfinylbutan-2-yl)thieno[3,2-c]pyridin-4-amine
SMILESCC(CCS(C)=O)Nc1nccc2sccc12
InChIInChI=1S/C12H16N2OS2/c1-9(5-8-17(2)15)14-12-10-4-7-16-11(10)3-6-13-12/h3-4,6-7,9H,5,8H2,1-2H3,(H,13,14)
InChIKeyINOACYLPYAFJIA-UHFFFAOYSA-N
MW268.41 g/mol
LogP2.87
Rot. Bonds5

About N-(4-methylsulfinylbutan-2-yl)thieno[3,2-c]pyridin-4-amine

N-(4-methylsulfinylbutan-2-yl)thieno[3,2-c]pyridin-4-amine (PubChem CID 113260876) has the molecular formula C12H16N2OS2 and a molecular weight of 268.41 g/mol. Its IUPAC name is N-(4-methylsulfinylbutan-2-yl)thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(4-methylsulfinylbutan-2-yl)thieno[3,2-c]pyridin-4-amine
PubChem CID113260876
Molecular FormulaC12H16N2OS2
Molecular Weight268.41 g/mol
Exact Mass268.07
IUPAC NameN-(4-methylsulfinylbutan-2-yl)thieno[3,2-c]pyridin-4-amine
SMILESCC(CCS(C)=O)Nc1nccc2sccc12
InChIInChI=1S/C12H16N2OS2/c1-9(5-8-17(2)15)14-12-10-4-7-16-11(10)3-6-13-12/h3-4,6-7,9H,5,8H2,1-2H3,(H,13,14)
InChIKeyINOACYLPYAFJIA-UHFFFAOYSA-N
XLogP2.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-pentan-2-ylthieno[3,2-c]pyridin-4-amine
CID 43522745
N-(4-ethylsulfanylbutan-2-yl)thieno[3,2-c]pyridin-4-amine
CID 115744792
1-(4-methylsulfinylbutan-2-ylamino)isoquinolin-7-ol
CID 106539731
2-chloro-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103322551
N-hex-5-yn-3-ylthieno[3,2-c]pyridin-4-amine
CID 115657878
3-(4-methylsulfinylbutan-2-ylamino)-1H-pyrazin-2-one
CID 115715184
N-hex-1-yn-3-ylthieno[3,2-c]pyridin-4-amine
CID 106231740
N-[1-(4-aminophenyl)ethyl]thieno[3,2-c]pyridin-4-amine
CID 60871189
1-methyl-3-(4-methylsulfinylbutan-2-ylamino)pyrazin-2-one
CID 115689371
N-(2,3,3-trimethylbutyl)thieno[3,2-c]pyridin-4-amine
CID 83143600
N-[1-(4-methoxyphenyl)ethyl]thieno[3,2-c]pyridin-4-amine
CID 62050413
N-tert-butylthieno[3,2-c]pyridin-4-amine
CID 126975731

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfinylbutan-2-yl)thieno[3,2-c]pyridin-4-amine?
The IUPAC name of N-(4-methylsulfinylbutan-2-yl)thieno[3,2-c]pyridin-4-amine (CID 113260876) is N-(4-methylsulfinylbutan-2-yl)thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-(4-methylsulfinylbutan-2-yl)thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for N-(4-methylsulfinylbutan-2-yl)thieno[3,2-c]pyridin-4-amine is CC(CCS(C)=O)Nc1nccc2sccc12.
What is the InChIKey of N-(4-methylsulfinylbutan-2-yl)thieno[3,2-c]pyridin-4-amine?
The InChIKey is INOACYLPYAFJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS2/c1-9(5-8-17(2)15)14-12-10-4-7-16-11(10)3-6-13-12/h3-4,6-7,9H,5,8H2,1-2H3,(H,13,14).
What are the key properties of N-(4-methylsulfinylbutan-2-yl)thieno[3,2-c]pyridin-4-amine?
N-(4-methylsulfinylbutan-2-yl)thieno[3,2-c]pyridin-4-amine has a molecular weight of 268.41 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfinylbutan-2-yl)thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 113260876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).