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

C15H16N2S — CID 62941997

IUPACN-cyclopropyl-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-4-amine
SMILESc1ccc2c(c1)CCCc1sc(NC3CC3)nc1-2
InChIInChI=1S/C15H16N2S/c1-2-6-12-10(4-1)5-3-7-13-14(12)17-15(18-13)16-11-8-9-11/h1-2,4,6,11H,3,5,7-9H2,(H,16,17)
InChIKeyWYCNOEZJUUWOSR-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.87
Rot. Bonds2

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

N-cyclopropyl-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-4-amine (PubChem CID 62941997) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-cyclopropyl-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-4-amine
PubChem CID62941997
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC NameN-cyclopropyl-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-4-amine
SMILESc1ccc2c(c1)CCCc1sc(NC3CC3)nc1-2
InChIInChI=1S/C15H16N2S/c1-2-6-12-10(4-1)5-3-7-13-14(12)17-15(18-13)16-11-8-9-11/h1-2,4,6,11H,3,5,7-9H2,(H,16,17)
InChIKeyWYCNOEZJUUWOSR-UHFFFAOYSA-N
XLogP3.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-4-amine?
The IUPAC name of N-cyclopropyl-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-4-amine (CID 62941997) is N-cyclopropyl-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-4-amine.
What is the SMILES notation for N-cyclopropyl-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-4-amine?
The canonical SMILES for N-cyclopropyl-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-4-amine is c1ccc2c(c1)CCCc1sc(NC3CC3)nc1-2.
What is the InChIKey of N-cyclopropyl-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-4-amine?
The InChIKey is WYCNOEZJUUWOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S/c1-2-6-12-10(4-1)5-3-7-13-14(12)17-15(18-13)16-11-8-9-11/h1-2,4,6,11H,3,5,7-9H2,(H,16,17).
What are the key properties of N-cyclopropyl-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-4-amine?
N-cyclopropyl-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-4-amine has a molecular weight of 256.37 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-4-amine is sourced from PubChem (CID 62941997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).