9,15-dimethyl-5-thiophen-3-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene

C19H20N2O2S2 — CID 58258804

IUPAC9,15-dimethyl-5-thiophen-3-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
SMILESCN1C2CCC1c1c(n(C)c3ccc(S(=O)(=O)c4ccsc4)cc13)C2
InChIInChI=1S/C19H20N2O2S2/c1-20-12-3-5-17(20)19-15-10-13(25(22,23)14-7-8-24-11-14)4-6-16(15)21(2)18(19)9-12/h4,6-8,10-12,17H,3,5,9H2,1-2H3
InChIKeySMOFOLADDUHJJG-UHFFFAOYSA-N
MW372.52 g/mol
LogP3.76
Rot. Bonds2

About 9,15-dimethyl-5-thiophen-3-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene

9,15-dimethyl-5-thiophen-3-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene (PubChem CID 58258804) has the molecular formula C19H20N2O2S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is 9,15-dimethyl-5-thiophen-3-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene.

Molecular Properties

Compound Name9,15-dimethyl-5-thiophen-3-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
PubChem CID58258804
Molecular FormulaC19H20N2O2S2
Molecular Weight372.52 g/mol
Exact Mass372.10
IUPAC Name9,15-dimethyl-5-thiophen-3-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
SMILESCN1C2CCC1c1c(n(C)c3ccc(S(=O)(=O)c4ccsc4)cc13)C2
InChIInChI=1S/C19H20N2O2S2/c1-20-12-3-5-17(20)19-15-10-13(25(22,23)14-7-8-24-11-14)4-6-16(15)21(2)18(19)9-12/h4,6-8,10-12,17H,3,5,9H2,1-2H3
InChIKeySMOFOLADDUHJJG-UHFFFAOYSA-N
XLogP3.76
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,15-dimethyl-5-thiophen-3-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
The IUPAC name of 9,15-dimethyl-5-thiophen-3-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene (CID 58258804) is 9,15-dimethyl-5-thiophen-3-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene.
What is the SMILES notation for 9,15-dimethyl-5-thiophen-3-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
The canonical SMILES for 9,15-dimethyl-5-thiophen-3-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene is CN1C2CCC1c1c(n(C)c3ccc(S(=O)(=O)c4ccsc4)cc13)C2.
What is the InChIKey of 9,15-dimethyl-5-thiophen-3-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
The InChIKey is SMOFOLADDUHJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S2/c1-20-12-3-5-17(20)19-15-10-13(25(22,23)14-7-8-24-11-14)4-6-16(15)21(2)18(19)9-12/h4,6-8,10-12,17H,3,5,9H2,1-2H3.
What are the key properties of 9,15-dimethyl-5-thiophen-3-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
9,15-dimethyl-5-thiophen-3-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene has a molecular weight of 372.52 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9,15-dimethyl-5-thiophen-3-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene is sourced from PubChem (CID 58258804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).