2-[3-(diethylamino)propylamino]-1-phenothiazin-10-ylethanone

C21H27N3OS — CID 3229673

IUPAC2-[3-(diethylamino)propylamino]-1-phenothiazin-10-ylethanone
SMILESCCN(CC)CCCNCC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C21H27N3OS/c1-3-23(4-2)15-9-14-22-16-21(25)24-17-10-5-7-12-19(17)26-20-13-8-6-11-18(20)24/h5-8,10-13,22H,3-4,9,14-16H2,1-2H3
InChIKeyCZTPTNSQKHOJMK-UHFFFAOYSA-N
MW369.53 g/mol
LogP4.14
Rot. Bonds8

About 2-[3-(diethylamino)propylamino]-1-phenothiazin-10-ylethanone

2-[3-(diethylamino)propylamino]-1-phenothiazin-10-ylethanone (PubChem CID 3229673) has the molecular formula C21H27N3OS and a molecular weight of 369.53 g/mol. Its IUPAC name is 2-[3-(diethylamino)propylamino]-1-phenothiazin-10-ylethanone.

Molecular Properties

Compound Name2-[3-(diethylamino)propylamino]-1-phenothiazin-10-ylethanone
PubChem CID3229673
Molecular FormulaC21H27N3OS
Molecular Weight369.53 g/mol
Exact Mass369.19
IUPAC Name2-[3-(diethylamino)propylamino]-1-phenothiazin-10-ylethanone
SMILESCCN(CC)CCCNCC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C21H27N3OS/c1-3-23(4-2)15-9-14-22-16-21(25)24-17-10-5-7-12-19(17)26-20-13-8-6-11-18(20)24/h5-8,10-13,22H,3-4,9,14-16H2,1-2H3
InChIKeyCZTPTNSQKHOJMK-UHFFFAOYSA-N
XLogP4.14
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)propylamino]-1-phenothiazin-10-ylethanone?
The IUPAC name of 2-[3-(diethylamino)propylamino]-1-phenothiazin-10-ylethanone (CID 3229673) is 2-[3-(diethylamino)propylamino]-1-phenothiazin-10-ylethanone.
What is the SMILES notation for 2-[3-(diethylamino)propylamino]-1-phenothiazin-10-ylethanone?
The canonical SMILES for 2-[3-(diethylamino)propylamino]-1-phenothiazin-10-ylethanone is CCN(CC)CCCNCC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 2-[3-(diethylamino)propylamino]-1-phenothiazin-10-ylethanone?
The InChIKey is CZTPTNSQKHOJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3OS/c1-3-23(4-2)15-9-14-22-16-21(25)24-17-10-5-7-12-19(17)26-20-13-8-6-11-18(20)24/h5-8,10-13,22H,3-4,9,14-16H2,1-2H3.
What are the key properties of 2-[3-(diethylamino)propylamino]-1-phenothiazin-10-ylethanone?
2-[3-(diethylamino)propylamino]-1-phenothiazin-10-ylethanone has a molecular weight of 369.53 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)propylamino]-1-phenothiazin-10-ylethanone is sourced from PubChem (CID 3229673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).