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

C11H14N2O2S2 — CID 54905473

IUPACN-(3-methylsulfonylpropyl)thieno[3,2-c]pyridin-4-amine
SMILESCS(=O)(=O)CCCNc1nccc2sccc12
InChIInChI=1S/C11H14N2O2S2/c1-17(14,15)8-2-5-12-11-9-4-7-16-10(9)3-6-13-11/h3-4,6-7H,2,5,8H2,1H3,(H,12,13)
InChIKeyKCSVABKWEXXXOW-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.14
Rot. Bonds5

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

N-(3-methylsulfonylpropyl)thieno[3,2-c]pyridin-4-amine (PubChem CID 54905473) has the molecular formula C11H14N2O2S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(3-methylsulfonylpropyl)thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(3-methylsulfonylpropyl)thieno[3,2-c]pyridin-4-amine
PubChem CID54905473
Molecular FormulaC11H14N2O2S2
Molecular Weight270.38 g/mol
Exact Mass270.05
IUPAC NameN-(3-methylsulfonylpropyl)thieno[3,2-c]pyridin-4-amine
SMILESCS(=O)(=O)CCCNc1nccc2sccc12
InChIInChI=1S/C11H14N2O2S2/c1-17(14,15)8-2-5-12-11-9-4-7-16-10(9)3-6-13-11/h3-4,6-7H,2,5,8H2,1H3,(H,12,13)
InChIKeyKCSVABKWEXXXOW-UHFFFAOYSA-N
XLogP2.14
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.14
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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Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylpropyl)thieno[3,2-c]pyridin-4-amine?
The IUPAC name of N-(3-methylsulfonylpropyl)thieno[3,2-c]pyridin-4-amine (CID 54905473) is N-(3-methylsulfonylpropyl)thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-(3-methylsulfonylpropyl)thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for N-(3-methylsulfonylpropyl)thieno[3,2-c]pyridin-4-amine is CS(=O)(=O)CCCNc1nccc2sccc12.
What is the InChIKey of N-(3-methylsulfonylpropyl)thieno[3,2-c]pyridin-4-amine?
The InChIKey is KCSVABKWEXXXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S2/c1-17(14,15)8-2-5-12-11-9-4-7-16-10(9)3-6-13-11/h3-4,6-7H,2,5,8H2,1H3,(H,12,13).
What are the key properties of N-(3-methylsulfonylpropyl)thieno[3,2-c]pyridin-4-amine?
N-(3-methylsulfonylpropyl)thieno[3,2-c]pyridin-4-amine has a molecular weight of 270.38 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylpropyl)thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 54905473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).