(14R)-14-phenylspiro[15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaene-9,1'-cyclopentane]-11-one

C24H22N2OS — CID 1346293

IUPAC(14R)-14-phenylspiro[15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaene-9,1'-cyclopentane]-11-one
SMILESO=c1c2c(nc3n1C[C@@H](c1ccccc1)S3)-c1ccccc1CC21CCCC1
InChIInChI=1S/C24H22N2OS/c27-22-20-21(18-11-5-4-10-17(18)14-24(20)12-6-7-13-24)25-23-26(22)15-19(28-23)16-8-2-1-3-9-16/h1-5,8-11,19H,6-7,12-15H2/t19-/m0/s1
InChIKeyNHCBYGFIKNIRMX-IBGZPJMESA-N
MW386.52 g/mol
LogP5.13
Rot. Bonds1

About (14R)-14-phenylspiro[15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaene-9,1'-cyclopentane]-11-one

(14R)-14-phenylspiro[15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaene-9,1'-cyclopentane]-11-one (PubChem CID 1346293) has the molecular formula C24H22N2OS and a molecular weight of 386.52 g/mol. Its IUPAC name is (14R)-14-phenylspiro[15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaene-9,1'-cyclopentane]-11-one.

Molecular Properties

Compound Name(14R)-14-phenylspiro[15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaene-9,1'-cyclopentane]-11-one
PubChem CID1346293
Molecular FormulaC24H22N2OS
Molecular Weight386.52 g/mol
Exact Mass386.15
IUPAC Name(14R)-14-phenylspiro[15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaene-9,1'-cyclopentane]-11-one
SMILESO=c1c2c(nc3n1C[C@@H](c1ccccc1)S3)-c1ccccc1CC21CCCC1
InChIInChI=1S/C24H22N2OS/c27-22-20-21(18-11-5-4-10-17(18)14-24(20)12-6-7-13-24)25-23-26(22)15-19(28-23)16-8-2-1-3-9-16/h1-5,8-11,19H,6-7,12-15H2/t19-/m0/s1
InChIKeyNHCBYGFIKNIRMX-IBGZPJMESA-N
XLogP5.13
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.52
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (14R)-14-phenylspiro[15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaene-9,1'-cyclopentane]-11-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (14R)-14-phenylspiro[15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaene-9,1'-cyclopentane]-11-one?
The IUPAC name of (14R)-14-phenylspiro[15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaene-9,1'-cyclopentane]-11-one (CID 1346293) is (14R)-14-phenylspiro[15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaene-9,1'-cyclopentane]-11-one.
What is the SMILES notation for (14R)-14-phenylspiro[15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaene-9,1'-cyclopentane]-11-one?
The canonical SMILES for (14R)-14-phenylspiro[15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaene-9,1'-cyclopentane]-11-one is O=c1c2c(nc3n1C[C@@H](c1ccccc1)S3)-c1ccccc1CC21CCCC1.
What is the InChIKey of (14R)-14-phenylspiro[15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaene-9,1'-cyclopentane]-11-one?
The InChIKey is NHCBYGFIKNIRMX-IBGZPJMESA-N. The full InChI is InChI=1S/C24H22N2OS/c27-22-20-21(18-11-5-4-10-17(18)14-24(20)12-6-7-13-24)25-23-26(22)15-19(28-23)16-8-2-1-3-9-16/h1-5,8-11,19H,6-7,12-15H2/t19-/m0/s1.
What are the key properties of (14R)-14-phenylspiro[15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaene-9,1'-cyclopentane]-11-one?
(14R)-14-phenylspiro[15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaene-9,1'-cyclopentane]-11-one has a molecular weight of 386.52 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (14R)-14-phenylspiro[15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaene-9,1'-cyclopentane]-11-one is sourced from PubChem (CID 1346293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).