N-ethyl-10H-phenothiazin-3-amine

C14H14N2S — CID 163231038

IUPACN-ethyl-10H-phenothiazin-3-amine
SMILESCCNc1ccc2c(c1)Sc1ccccc1N2
InChIInChI=1S/C14H14N2S/c1-2-15-10-7-8-12-14(9-10)17-13-6-4-3-5-11(13)16-12/h3-9,15-16H,2H2,1H3
InChIKeyZAWKCCVQHUMBJI-UHFFFAOYSA-N
MW242.35 g/mol
LogP4.33
Rot. Bonds2

About N-ethyl-10H-phenothiazin-3-amine

N-ethyl-10H-phenothiazin-3-amine (PubChem CID 163231038) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is N-ethyl-10H-phenothiazin-3-amine.

Molecular Properties

Compound NameN-ethyl-10H-phenothiazin-3-amine
PubChem CID163231038
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC NameN-ethyl-10H-phenothiazin-3-amine
SMILESCCNc1ccc2c(c1)Sc1ccccc1N2
InChIInChI=1S/C14H14N2S/c1-2-15-10-7-8-12-14(9-10)17-13-6-4-3-5-11(13)16-12/h3-9,15-16H,2H2,1H3
InChIKeyZAWKCCVQHUMBJI-UHFFFAOYSA-N
XLogP4.33
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-10H-phenothiazin-3-amine?
The IUPAC name of N-ethyl-10H-phenothiazin-3-amine (CID 163231038) is N-ethyl-10H-phenothiazin-3-amine.
What is the SMILES notation for N-ethyl-10H-phenothiazin-3-amine?
The canonical SMILES for N-ethyl-10H-phenothiazin-3-amine is CCNc1ccc2c(c1)Sc1ccccc1N2.
What is the InChIKey of N-ethyl-10H-phenothiazin-3-amine?
The InChIKey is ZAWKCCVQHUMBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c1-2-15-10-7-8-12-14(9-10)17-13-6-4-3-5-11(13)16-12/h3-9,15-16H,2H2,1H3.
What are the key properties of N-ethyl-10H-phenothiazin-3-amine?
N-ethyl-10H-phenothiazin-3-amine has a molecular weight of 242.35 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-10H-phenothiazin-3-amine is sourced from PubChem (CID 163231038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).