5-[2-(cycloheptylamino)ethyl]thieno[3,2-c]pyridin-4-one

C16H22N2OS — CID 115912101

IUPAC5-[2-(cycloheptylamino)ethyl]thieno[3,2-c]pyridin-4-one
SMILESO=c1c2ccsc2ccn1CCNC1CCCCCC1
InChIInChI=1S/C16H22N2OS/c19-16-14-8-12-20-15(14)7-10-18(16)11-9-17-13-5-3-1-2-4-6-13/h7-8,10,12-13,17H,1-6,9,11H2
InChIKeyKLBSQYVIZBQKAQ-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.38
Rot. Bonds4

About 5-[2-(cycloheptylamino)ethyl]thieno[3,2-c]pyridin-4-one

5-[2-(cycloheptylamino)ethyl]thieno[3,2-c]pyridin-4-one (PubChem CID 115912101) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 5-[2-(cycloheptylamino)ethyl]thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-[2-(cycloheptylamino)ethyl]thieno[3,2-c]pyridin-4-one
PubChem CID115912101
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name5-[2-(cycloheptylamino)ethyl]thieno[3,2-c]pyridin-4-one
SMILESO=c1c2ccsc2ccn1CCNC1CCCCCC1
InChIInChI=1S/C16H22N2OS/c19-16-14-8-12-20-15(14)7-10-18(16)11-9-17-13-5-3-1-2-4-6-13/h7-8,10,12-13,17H,1-6,9,11H2
InChIKeyKLBSQYVIZBQKAQ-UHFFFAOYSA-N
XLogP3.38
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(cyclohexylamino)propyl]thieno[3,2-c]pyridin-4-one
CID 115912118
5-[2-(cyclohexylmethylamino)ethyl]thieno[3,2-c]pyridin-4-one
CID 115912100
N-cyclohexyl-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396089
N-cyclopentyl-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396035
5-[2-(prop-2-enylamino)ethyl]thieno[3,2-c]pyridin-4-one
CID 112557143
3-[2-(cyclopropylamino)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 61386927
5-(2-cyclohexyl-2-oxoethyl)thieno[3,2-c]pyridin-4-one
CID 103985823
5-[2-[(cyclopropylamino)methyl]prop-2-enyl]thieno[3,2-c]pyridin-4-one
CID 103072901
2-[2-(cycloheptylamino)ethyl]-1,2-benzothiazol-3-one
CID 115306831
5-[2-(2-methoxyethylamino)ethyl]thieno[3,2-c]pyridin-4-one
CID 112557132
5-(2-piperazin-1-ylethyl)thieno[3,2-c]pyridin-4-one
CID 112557046
5-(piperidin-2-ylmethyl)thieno[3,2-c]pyridin-4-one
CID 112557045

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cycloheptylamino)ethyl]thieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-[2-(cycloheptylamino)ethyl]thieno[3,2-c]pyridin-4-one (CID 115912101) is 5-[2-(cycloheptylamino)ethyl]thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-[2-(cycloheptylamino)ethyl]thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-[2-(cycloheptylamino)ethyl]thieno[3,2-c]pyridin-4-one is O=c1c2ccsc2ccn1CCNC1CCCCCC1.
What is the InChIKey of 5-[2-(cycloheptylamino)ethyl]thieno[3,2-c]pyridin-4-one?
The InChIKey is KLBSQYVIZBQKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c19-16-14-8-12-20-15(14)7-10-18(16)11-9-17-13-5-3-1-2-4-6-13/h7-8,10,12-13,17H,1-6,9,11H2.
What are the key properties of 5-[2-(cycloheptylamino)ethyl]thieno[3,2-c]pyridin-4-one?
5-[2-(cycloheptylamino)ethyl]thieno[3,2-c]pyridin-4-one has a molecular weight of 290.43 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cycloheptylamino)ethyl]thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 115912101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).