4-phenothiazin-10-ylbutan-1-amine

C16H18N2S — CID 11003572

IUPAC4-phenothiazin-10-ylbutan-1-amine
SMILESNCCCCN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C16H18N2S/c17-11-5-6-12-18-13-7-1-3-9-15(13)19-16-10-4-2-8-14(16)18/h1-4,7-10H,5-6,11-12,17H2
InChIKeyGIIRHITWHGRFQI-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.03
Rot. Bonds4

About 4-phenothiazin-10-ylbutan-1-amine

4-phenothiazin-10-ylbutan-1-amine (PubChem CID 11003572) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 4-phenothiazin-10-ylbutan-1-amine.

Molecular Properties

Compound Name4-phenothiazin-10-ylbutan-1-amine
PubChem CID11003572
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC Name4-phenothiazin-10-ylbutan-1-amine
SMILESNCCCCN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C16H18N2S/c17-11-5-6-12-18-13-7-1-3-9-15(13)19-16-10-4-2-8-14(16)18/h1-4,7-10H,5-6,11-12,17H2
InChIKeyGIIRHITWHGRFQI-UHFFFAOYSA-N
XLogP4.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-phenothiazin-10-ylbutan-1-amine?
The IUPAC name of 4-phenothiazin-10-ylbutan-1-amine (CID 11003572) is 4-phenothiazin-10-ylbutan-1-amine.
What is the SMILES notation for 4-phenothiazin-10-ylbutan-1-amine?
The canonical SMILES for 4-phenothiazin-10-ylbutan-1-amine is NCCCCN1c2ccccc2Sc2ccccc21.
What is the InChIKey of 4-phenothiazin-10-ylbutan-1-amine?
The InChIKey is GIIRHITWHGRFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c17-11-5-6-12-18-13-7-1-3-9-15(13)19-16-10-4-2-8-14(16)18/h1-4,7-10H,5-6,11-12,17H2.
What are the key properties of 4-phenothiazin-10-ylbutan-1-amine?
4-phenothiazin-10-ylbutan-1-amine has a molecular weight of 270.40 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenothiazin-10-ylbutan-1-amine is sourced from PubChem (CID 11003572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).