(1S)-5-methoxy-14-propyl-15-thia-10-azatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-4-ol

C19H23NO2S — CID 72699816

IUPAC(1S)-5-methoxy-14-propyl-15-thia-10-azatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-4-ol
SMILESCCCc1cc2c(s1)C[C@H]1c3cc(O)c(OC)cc3CCN1C2
InChIInChI=1S/C19H23NO2S/c1-3-4-14-7-13-11-20-6-5-12-8-18(22-2)17(21)9-15(12)16(20)10-19(13)23-14/h7-9,16,21H,3-6,10-11H2,1-2H3/t16-/m0/s1
InChIKeyBZUCYSTYXVHZSB-INIZCTEOSA-N
MW329.47 g/mol
LogP4.07
Rot. Bonds3

About (1S)-5-methoxy-14-propyl-15-thia-10-azatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-4-ol

(1S)-5-methoxy-14-propyl-15-thia-10-azatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-4-ol (PubChem CID 72699816) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is (1S)-5-methoxy-14-propyl-15-thia-10-azatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-4-ol.

Molecular Properties

Compound Name(1S)-5-methoxy-14-propyl-15-thia-10-azatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-4-ol
PubChem CID72699816
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name(1S)-5-methoxy-14-propyl-15-thia-10-azatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-4-ol
SMILESCCCc1cc2c(s1)C[C@H]1c3cc(O)c(OC)cc3CCN1C2
InChIInChI=1S/C19H23NO2S/c1-3-4-14-7-13-11-20-6-5-12-8-18(22-2)17(21)9-15(12)16(20)10-19(13)23-14/h7-9,16,21H,3-6,10-11H2,1-2H3/t16-/m0/s1
InChIKeyBZUCYSTYXVHZSB-INIZCTEOSA-N
XLogP4.07
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-5-methoxy-14-propyl-15-thia-10-azatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-5-methoxy-14-propyl-15-thia-10-azatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-4-ol?
The IUPAC name of (1S)-5-methoxy-14-propyl-15-thia-10-azatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-4-ol (CID 72699816) is (1S)-5-methoxy-14-propyl-15-thia-10-azatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-4-ol.
What is the SMILES notation for (1S)-5-methoxy-14-propyl-15-thia-10-azatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-4-ol?
The canonical SMILES for (1S)-5-methoxy-14-propyl-15-thia-10-azatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-4-ol is CCCc1cc2c(s1)C[C@H]1c3cc(O)c(OC)cc3CCN1C2.
What is the InChIKey of (1S)-5-methoxy-14-propyl-15-thia-10-azatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-4-ol?
The InChIKey is BZUCYSTYXVHZSB-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-3-4-14-7-13-11-20-6-5-12-8-18(22-2)17(21)9-15(12)16(20)10-19(13)23-14/h7-9,16,21H,3-6,10-11H2,1-2H3/t16-/m0/s1.
What are the key properties of (1S)-5-methoxy-14-propyl-15-thia-10-azatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-4-ol?
(1S)-5-methoxy-14-propyl-15-thia-10-azatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-4-ol has a molecular weight of 329.47 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-methoxy-14-propyl-15-thia-10-azatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-4-ol is sourced from PubChem (CID 72699816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).