2-[10-(3-aminopropyl)-8,9-dimethyl-5-oxophenothiazin-2-yl]ethanol

C19H24N2O2S — CID 18334426

IUPAC2-[10-(3-aminopropyl)-8,9-dimethyl-5-oxophenothiazin-2-yl]ethanol
SMILESCc1ccc2c(c1C)N(CCCN)c1cc(CCO)ccc1S2=O
InChIInChI=1S/C19H24N2O2S/c1-13-4-6-18-19(14(13)2)21(10-3-9-20)16-12-15(8-11-22)5-7-17(16)24(18)23/h4-7,12,22H,3,8-11,20H2,1-2H3
InChIKeyYTASCWKGQNAPMV-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.81
Rot. Bonds5

About 2-[10-(3-aminopropyl)-8,9-dimethyl-5-oxophenothiazin-2-yl]ethanol

2-[10-(3-aminopropyl)-8,9-dimethyl-5-oxophenothiazin-2-yl]ethanol (PubChem CID 18334426) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-[10-(3-aminopropyl)-8,9-dimethyl-5-oxophenothiazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[10-(3-aminopropyl)-8,9-dimethyl-5-oxophenothiazin-2-yl]ethanol
PubChem CID18334426
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name2-[10-(3-aminopropyl)-8,9-dimethyl-5-oxophenothiazin-2-yl]ethanol
SMILESCc1ccc2c(c1C)N(CCCN)c1cc(CCO)ccc1S2=O
InChIInChI=1S/C19H24N2O2S/c1-13-4-6-18-19(14(13)2)21(10-3-9-20)16-12-15(8-11-22)5-7-17(16)24(18)23/h4-7,12,22H,3,8-11,20H2,1-2H3
InChIKeyYTASCWKGQNAPMV-UHFFFAOYSA-N
XLogP2.81
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[10-(3-aminopropyl)-8,9-dimethyl-5-oxophenothiazin-2-yl]ethanol?
The IUPAC name of 2-[10-(3-aminopropyl)-8,9-dimethyl-5-oxophenothiazin-2-yl]ethanol (CID 18334426) is 2-[10-(3-aminopropyl)-8,9-dimethyl-5-oxophenothiazin-2-yl]ethanol.
What is the SMILES notation for 2-[10-(3-aminopropyl)-8,9-dimethyl-5-oxophenothiazin-2-yl]ethanol?
The canonical SMILES for 2-[10-(3-aminopropyl)-8,9-dimethyl-5-oxophenothiazin-2-yl]ethanol is Cc1ccc2c(c1C)N(CCCN)c1cc(CCO)ccc1S2=O.
What is the InChIKey of 2-[10-(3-aminopropyl)-8,9-dimethyl-5-oxophenothiazin-2-yl]ethanol?
The InChIKey is YTASCWKGQNAPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-13-4-6-18-19(14(13)2)21(10-3-9-20)16-12-15(8-11-22)5-7-17(16)24(18)23/h4-7,12,22H,3,8-11,20H2,1-2H3.
What are the key properties of 2-[10-(3-aminopropyl)-8,9-dimethyl-5-oxophenothiazin-2-yl]ethanol?
2-[10-(3-aminopropyl)-8,9-dimethyl-5-oxophenothiazin-2-yl]ethanol has a molecular weight of 344.48 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(3-aminopropyl)-8,9-dimethyl-5-oxophenothiazin-2-yl]ethanol is sourced from PubChem (CID 18334426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).