1,2-dimethyl-10-(3-piperidin-1-ylpropyl)phenothiazine 5-oxide

C22H28N2OS — CID 18334407

IUPAC1,2-dimethyl-10-(3-piperidin-1-ylpropyl)phenothiazine 5-oxide
SMILESCc1ccc2c(c1C)N(CCCN1CCCCC1)c1ccccc1S2=O
InChIInChI=1S/C22H28N2OS/c1-17-11-12-21-22(18(17)2)24(16-8-15-23-13-6-3-7-14-23)19-9-4-5-10-20(19)26(21)25/h4-5,9-12H,3,6-8,13-16H2,1-2H3
InChIKeyYPDWYKUEENVJEU-UHFFFAOYSA-N
MW368.55 g/mol
LogP4.80
Rot. Bonds4

About 1,2-dimethyl-10-(3-piperidin-1-ylpropyl)phenothiazine 5-oxide

1,2-dimethyl-10-(3-piperidin-1-ylpropyl)phenothiazine 5-oxide (PubChem CID 18334407) has the molecular formula C22H28N2OS and a molecular weight of 368.55 g/mol. Its IUPAC name is 1,2-dimethyl-10-(3-piperidin-1-ylpropyl)phenothiazine 5-oxide.

Molecular Properties

Compound Name1,2-dimethyl-10-(3-piperidin-1-ylpropyl)phenothiazine 5-oxide
PubChem CID18334407
Molecular FormulaC22H28N2OS
Molecular Weight368.55 g/mol
Exact Mass368.19
IUPAC Name1,2-dimethyl-10-(3-piperidin-1-ylpropyl)phenothiazine 5-oxide
SMILESCc1ccc2c(c1C)N(CCCN1CCCCC1)c1ccccc1S2=O
InChIInChI=1S/C22H28N2OS/c1-17-11-12-21-22(18(17)2)24(16-8-15-23-13-6-3-7-14-23)19-9-4-5-10-20(19)26(21)25/h4-5,9-12H,3,6-8,13-16H2,1-2H3
InChIKeyYPDWYKUEENVJEU-UHFFFAOYSA-N
XLogP4.80
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,2-dimethyl-10-(3-piperidin-1-ylpropyl)phenothiazine 5-oxide with MolForge

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

Launch Full Analysis

Related Compounds

2-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl]isoindole-1,3-dione
CID 12052205
10-[2-(4-benzylpiperazin-1-yl)ethyl]-1,2-dimethylphenothiazine 5-oxide
CID 12052203
3-(1,2-dimethyl-5-oxophenothiazin-10-yl)-N-prop-2-ynylpropan-1-amine
CID 18334617
1-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl]-1,2,4-triazol-3-amine
CID 18334412
N-benzyl-3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine
CID 12052197
2-[cyanomethyl-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl]amino]acetonitrile
CID 163596583
N-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl]-4-fluorobenzenesulfonamide
CID 139795073
3-(1,2-dimethyl-5-oxophenothiazin-10-yl)-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 20633041
2-[2,2-dihydroxyethyl-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl]amino]acetic acid
CID 20715046
2-[benzyl-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl]amino]ethane-1,1-diol
CID 20715049
2-[[2-(1,2-dimethyl-5-oxophenothiazin-10-yl)ethyl-methylamino]methyl]-6-(hydroxymethyl)phenol
CID 18334454
3-(1,2-dimethyl-5-oxophenothiazin-10-yl)-N-[[3-methoxy-5-(2-methylprop-1-enyl)thiophen-2-yl]methyl]propan-1-amine
CID 20715052

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-10-(3-piperidin-1-ylpropyl)phenothiazine 5-oxide?
The IUPAC name of 1,2-dimethyl-10-(3-piperidin-1-ylpropyl)phenothiazine 5-oxide (CID 18334407) is 1,2-dimethyl-10-(3-piperidin-1-ylpropyl)phenothiazine 5-oxide.
What is the SMILES notation for 1,2-dimethyl-10-(3-piperidin-1-ylpropyl)phenothiazine 5-oxide?
The canonical SMILES for 1,2-dimethyl-10-(3-piperidin-1-ylpropyl)phenothiazine 5-oxide is Cc1ccc2c(c1C)N(CCCN1CCCCC1)c1ccccc1S2=O.
What is the InChIKey of 1,2-dimethyl-10-(3-piperidin-1-ylpropyl)phenothiazine 5-oxide?
The InChIKey is YPDWYKUEENVJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2OS/c1-17-11-12-21-22(18(17)2)24(16-8-15-23-13-6-3-7-14-23)19-9-4-5-10-20(19)26(21)25/h4-5,9-12H,3,6-8,13-16H2,1-2H3.
What are the key properties of 1,2-dimethyl-10-(3-piperidin-1-ylpropyl)phenothiazine 5-oxide?
1,2-dimethyl-10-(3-piperidin-1-ylpropyl)phenothiazine 5-oxide has a molecular weight of 368.55 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-10-(3-piperidin-1-ylpropyl)phenothiazine 5-oxide is sourced from PubChem (CID 18334407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).