1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]ethanamine

C15H18N2O2S2 — CID 43105459

IUPAC1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]ethanamine
SMILESCC(N)c1ccc(S(=O)(=O)N2CCc3sccc3C2)cc1
InChIInChI=1S/C15H18N2O2S2/c1-11(16)12-2-4-14(5-3-12)21(18,19)17-8-6-15-13(10-17)7-9-20-15/h2-5,7,9,11H,6,8,10,16H2,1H3
InChIKeyYQOMUPQGZHZILC-UHFFFAOYSA-N
MW322.46 g/mol
LogP2.51
Rot. Bonds3

About 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]ethanamine

1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]ethanamine (PubChem CID 43105459) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]ethanamine
PubChem CID43105459
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC Name1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]ethanamine
SMILESCC(N)c1ccc(S(=O)(=O)N2CCc3sccc3C2)cc1
InChIInChI=1S/C15H18N2O2S2/c1-11(16)12-2-4-14(5-3-12)21(18,19)17-8-6-15-13(10-17)7-9-20-15/h2-5,7,9,11H,6,8,10,16H2,1H3
InChIKeyYQOMUPQGZHZILC-UHFFFAOYSA-N
XLogP2.51
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-ethylsulfonylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 55903519
5-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 47138851
4,5-dichloro-2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]pyridazin-3-one
CID 31535145
5-[3-chloro-4-(chloromethyl)phenyl]sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 107090927
5-(azepan-1-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 30289320
N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide
CID 35321093
1-[4-[4-(1-aminoethyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 43102421
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]ethanamine
CID 43106392
methyl 2-bromo-5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzoate
CID 55922970
5-(3-chloro-2-methylpropyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 79580811
5-(4-fluoro-2,6-dimethylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 107326446
3-chloro-5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-1H-pyridin-2-one
CID 64607284

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]ethanamine?
The IUPAC name of 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]ethanamine (CID 43105459) is 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]ethanamine?
The canonical SMILES for 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]ethanamine is CC(N)c1ccc(S(=O)(=O)N2CCc3sccc3C2)cc1.
What is the InChIKey of 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]ethanamine?
The InChIKey is YQOMUPQGZHZILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-11(16)12-2-4-14(5-3-12)21(18,19)17-8-6-15-13(10-17)7-9-20-15/h2-5,7,9,11H,6,8,10,16H2,1H3.
What are the key properties of 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]ethanamine?
1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]ethanamine has a molecular weight of 322.46 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]ethanamine is sourced from PubChem (CID 43105459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).