N-(5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-4-yl)propanamide

C15H16N2OS — CID 71602626

IUPACN-(5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-4-yl)propanamide
SMILESCCC(=O)Nc1nc2c(s1)CCCc1ccccc1-2
InChIInChI=1S/C15H16N2OS/c1-2-13(18)16-15-17-14-11-8-4-3-6-10(11)7-5-9-12(14)19-15/h3-4,6,8H,2,5,7,9H2,1H3,(H,16,17,18)
InChIKeyMARYNMNLXGMJNR-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.65
Rot. Bonds2

About N-(5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-4-yl)propanamide

N-(5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-4-yl)propanamide (PubChem CID 71602626) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-4-yl)propanamide.

Molecular Properties

Compound NameN-(5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-4-yl)propanamide
PubChem CID71602626
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-(5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-4-yl)propanamide
SMILESCCC(=O)Nc1nc2c(s1)CCCc1ccccc1-2
InChIInChI=1S/C15H16N2OS/c1-2-13(18)16-15-17-14-11-8-4-3-6-10(11)7-5-9-12(14)19-15/h3-4,6,8H,2,5,7,9H2,1H3,(H,16,17,18)
InChIKeyMARYNMNLXGMJNR-UHFFFAOYSA-N
XLogP3.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-4-yl)propanamide?
The IUPAC name of N-(5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-4-yl)propanamide (CID 71602626) is N-(5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-4-yl)propanamide.
What is the SMILES notation for N-(5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-4-yl)propanamide?
The canonical SMILES for N-(5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-4-yl)propanamide is CCC(=O)Nc1nc2c(s1)CCCc1ccccc1-2.
What is the InChIKey of N-(5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-4-yl)propanamide?
The InChIKey is MARYNMNLXGMJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-2-13(18)16-15-17-14-11-8-4-3-6-10(11)7-5-9-12(14)19-15/h3-4,6,8H,2,5,7,9H2,1H3,(H,16,17,18).
What are the key properties of N-(5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-4-yl)propanamide?
N-(5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-4-yl)propanamide has a molecular weight of 272.37 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-4-yl)propanamide is sourced from PubChem (CID 71602626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).