16-thia-14-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15),12-heptaene

C14H9NS — CID 163634840

IUPAC16-thia-14-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15),12-heptaene
SMILESc1ccc2c(c1)ccc1c3cc[nH]c3sc21
InChIInChI=1S/C14H9NS/c1-2-4-10-9(3-1)5-6-11-12-7-8-15-14(12)16-13(10)11/h1-8,15H
InChIKeyHZEWUWVHWBXYGO-UHFFFAOYSA-N
MW223.30 g/mol
LogP4.54
Rot. Bonds

About 16-thia-14-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15),12-heptaene

16-thia-14-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15),12-heptaene (PubChem CID 163634840) has the molecular formula C14H9NS and a molecular weight of 223.30 g/mol. Its IUPAC name is 16-thia-14-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15),12-heptaene.

Molecular Properties

Compound Name16-thia-14-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15),12-heptaene
PubChem CID163634840
Molecular FormulaC14H9NS
Molecular Weight223.30 g/mol
Exact Mass223.05
IUPAC Name16-thia-14-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15),12-heptaene
SMILESc1ccc2c(c1)ccc1c3cc[nH]c3sc21
InChIInChI=1S/C14H9NS/c1-2-4-10-9(3-1)5-6-11-12-7-8-15-14(12)16-13(10)11/h1-8,15H
InChIKeyHZEWUWVHWBXYGO-UHFFFAOYSA-N
XLogP4.54
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 16-thia-14-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15),12-heptaene?
The IUPAC name of 16-thia-14-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15),12-heptaene (CID 163634840) is 16-thia-14-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15),12-heptaene.
What is the SMILES notation for 16-thia-14-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15),12-heptaene?
The canonical SMILES for 16-thia-14-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15),12-heptaene is c1ccc2c(c1)ccc1c3cc[nH]c3sc21.
What is the InChIKey of 16-thia-14-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15),12-heptaene?
The InChIKey is HZEWUWVHWBXYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NS/c1-2-4-10-9(3-1)5-6-11-12-7-8-15-14(12)16-13(10)11/h1-8,15H.
What are the key properties of 16-thia-14-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15),12-heptaene?
16-thia-14-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15),12-heptaene has a molecular weight of 223.30 g/mol, XLogP of 4.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16-thia-14-azatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,11(15),12-heptaene is sourced from PubChem (CID 163634840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).