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

C13H18N2S2 — CID 115744792

IUPACN-(4-ethylsulfanylbutan-2-yl)thieno[3,2-c]pyridin-4-amine
SMILESCCSCCC(C)Nc1nccc2sccc12
InChIInChI=1S/C13H18N2S2/c1-3-16-8-5-10(2)15-13-11-6-9-17-12(11)4-7-14-13/h4,6-7,9-10H,3,5,8H2,1-2H3,(H,14,15)
InChIKeyCRMLFRNTQJFONN-UHFFFAOYSA-N
MW266.44 g/mol
LogP4.24
Rot. Bonds6

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

N-(4-ethylsulfanylbutan-2-yl)thieno[3,2-c]pyridin-4-amine (PubChem CID 115744792) has the molecular formula C13H18N2S2 and a molecular weight of 266.44 g/mol. Its IUPAC name is N-(4-ethylsulfanylbutan-2-yl)thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(4-ethylsulfanylbutan-2-yl)thieno[3,2-c]pyridin-4-amine
PubChem CID115744792
Molecular FormulaC13H18N2S2
Molecular Weight266.44 g/mol
Exact Mass266.09
IUPAC NameN-(4-ethylsulfanylbutan-2-yl)thieno[3,2-c]pyridin-4-amine
SMILESCCSCCC(C)Nc1nccc2sccc12
InChIInChI=1S/C13H18N2S2/c1-3-16-8-5-10(2)15-13-11-6-9-17-12(11)4-7-14-13/h4,6-7,9-10H,3,5,8H2,1-2H3,(H,14,15)
InChIKeyCRMLFRNTQJFONN-UHFFFAOYSA-N
XLogP4.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-pentan-2-ylthieno[3,2-c]pyridin-4-amine
CID 43522745
N-(4-methylsulfinylbutan-2-yl)thieno[3,2-c]pyridin-4-amine
CID 113260876
N-hex-5-yn-3-ylthieno[3,2-c]pyridin-4-amine
CID 115657878
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
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
5-chloro-4-N-(4-ethylsulfanylbutan-2-yl)pyrimidine-4,6-diamine
CID 106812170
N-tert-butylthieno[3,2-c]pyridin-4-amine
CID 126975731
N-(4-methylsulfanylbutan-2-yl)isoquinolin-1-amine
CID 113477681
N-(2,2-dimethoxyethyl)thieno[3,2-c]pyridin-4-amine
CID 107390126
2-ethyl-2-[(thieno[3,2-c]pyridin-4-ylamino)methyl]butan-1-ol
CID 103844406

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylbutan-2-yl)thieno[3,2-c]pyridin-4-amine?
The IUPAC name of N-(4-ethylsulfanylbutan-2-yl)thieno[3,2-c]pyridin-4-amine (CID 115744792) is N-(4-ethylsulfanylbutan-2-yl)thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-(4-ethylsulfanylbutan-2-yl)thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for N-(4-ethylsulfanylbutan-2-yl)thieno[3,2-c]pyridin-4-amine is CCSCCC(C)Nc1nccc2sccc12.
What is the InChIKey of N-(4-ethylsulfanylbutan-2-yl)thieno[3,2-c]pyridin-4-amine?
The InChIKey is CRMLFRNTQJFONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S2/c1-3-16-8-5-10(2)15-13-11-6-9-17-12(11)4-7-14-13/h4,6-7,9-10H,3,5,8H2,1-2H3,(H,14,15).
What are the key properties of N-(4-ethylsulfanylbutan-2-yl)thieno[3,2-c]pyridin-4-amine?
N-(4-ethylsulfanylbutan-2-yl)thieno[3,2-c]pyridin-4-amine has a molecular weight of 266.44 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylbutan-2-yl)thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 115744792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).