19-methyl-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaen-7-amine

C23H15NS2 — CID 126493602

IUPAC19-methyl-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaen-7-amine
SMILESCc1ccc2cc3c(cc2c1)sc1c2cc4ccc(N)cc4cc2sc31
InChIInChI=1S/C23H15NS2/c1-12-2-3-13-8-18-20(10-15(13)6-12)25-23-19-9-14-4-5-17(24)7-16(14)11-21(19)26-22(18)23/h2-11H,24H2,1H3
InChIKeyZNNDKYRZXVKBFM-UHFFFAOYSA-N
MW369.51 g/mol
LogP7.47
Rot. Bonds

About 19-methyl-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaen-7-amine

19-methyl-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaen-7-amine (PubChem CID 126493602) has the molecular formula C23H15NS2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 19-methyl-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaen-7-amine.

Molecular Properties

Compound Name19-methyl-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaen-7-amine
PubChem CID126493602
Molecular FormulaC23H15NS2
Molecular Weight369.51 g/mol
Exact Mass369.06
IUPAC Name19-methyl-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaen-7-amine
SMILESCc1ccc2cc3c(cc2c1)sc1c2cc4ccc(N)cc4cc2sc31
InChIInChI=1S/C23H15NS2/c1-12-2-3-13-8-18-20(10-15(13)6-12)25-23-19-9-14-4-5-17(24)7-16(14)11-21(19)26-22(18)23/h2-11H,24H2,1H3
InChIKeyZNNDKYRZXVKBFM-UHFFFAOYSA-N
XLogP7.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 19-methyl-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaen-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 19-methyl-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaen-7-amine?
The IUPAC name of 19-methyl-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaen-7-amine (CID 126493602) is 19-methyl-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaen-7-amine.
What is the SMILES notation for 19-methyl-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaen-7-amine?
The canonical SMILES for 19-methyl-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaen-7-amine is Cc1ccc2cc3c(cc2c1)sc1c2cc4ccc(N)cc4cc2sc31.
What is the InChIKey of 19-methyl-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaen-7-amine?
The InChIKey is ZNNDKYRZXVKBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NS2/c1-12-2-3-13-8-18-20(10-15(13)6-12)25-23-19-9-14-4-5-17(24)7-16(14)11-21(19)26-22(18)23/h2-11H,24H2,1H3.
What are the key properties of 19-methyl-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaen-7-amine?
19-methyl-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaen-7-amine has a molecular weight of 369.51 g/mol, XLogP of 7.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 19-methyl-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaen-7-amine is sourced from PubChem (CID 126493602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).