10-[2-(dimethylamino)propyl]-N,N-dimethylphenothiazine-2-sulfonamide

C19H25N3O2S2 — CID 3089

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IUPAC10-[2-(dimethylamino)propyl]-N,N-dimethylphenothiazine-2-sulfonamide
SMILESCC(CN1c2ccccc2Sc2ccc(S(=O)(=O)N(C)C)cc21)N(C)C
InChIInChI=1S/C19H25N3O2S2/c1-14(20(2)3)13-22-16-8-6-7-9-18(16)25-19-11-10-15(12-17(19)22)26(23,24)21(4)5/h6-12,14H,13H2,1-5H3
InChIKeyVWNWVCJGUMZDIU-UHFFFAOYSA-N
MW391.56 g/mol
LogP3.49
Rot. Bonds5

About 10-[2-(dimethylamino)propyl]-N,N-dimethylphenothiazine-2-sulfonamide

10-[2-(dimethylamino)propyl]-N,N-dimethylphenothiazine-2-sulfonamide (PubChem CID 3089) has the molecular formula C19H25N3O2S2 and a molecular weight of 391.56 g/mol. Its IUPAC name is 10-[2-(dimethylamino)propyl]-N,N-dimethylphenothiazine-2-sulfonamide.

Molecular Properties

Compound Name10-[2-(dimethylamino)propyl]-N,N-dimethylphenothiazine-2-sulfonamide
PubChem CID3089
Molecular FormulaC19H25N3O2S2
Molecular Weight391.56 g/mol
Exact Mass391.14
IUPAC Name10-[2-(dimethylamino)propyl]-N,N-dimethylphenothiazine-2-sulfonamide
SMILESCC(CN1c2ccccc2Sc2ccc(S(=O)(=O)N(C)C)cc21)N(C)C
InChIInChI=1S/C19H25N3O2S2/c1-14(20(2)3)13-22-16-8-6-7-9-18(16)25-19-11-10-15(12-17(19)22)26(23,24)21(4)5/h6-12,14H,13H2,1-5H3
InChIKeyVWNWVCJGUMZDIU-UHFFFAOYSA-N
XLogP3.49
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Promethazine
CID 4927
Mesoridazine
CID 4078
Thioridazine
CID 5452
Thiethylperazine
CID 5440
Promethazine Hydrochloride
CID 6014
Thioridazine Hydrochloride
CID 66062
(+-)-Ethopropazine
CID 3290
Ethopropazine Hydrochloride
CID 122824
Sulforidazine
CID 31765
Oxomemazine
CID 19396
Thioproperazine
CID 9429
Mesoridazine Besylate
CID 36207

Frequently Asked Questions

What is the IUPAC name of 10-[2-(dimethylamino)propyl]-N,N-dimethylphenothiazine-2-sulfonamide?
The IUPAC name of 10-[2-(dimethylamino)propyl]-N,N-dimethylphenothiazine-2-sulfonamide (CID 3089) is 10-[2-(dimethylamino)propyl]-N,N-dimethylphenothiazine-2-sulfonamide.
What is the SMILES notation for 10-[2-(dimethylamino)propyl]-N,N-dimethylphenothiazine-2-sulfonamide?
The canonical SMILES for 10-[2-(dimethylamino)propyl]-N,N-dimethylphenothiazine-2-sulfonamide is CC(CN1c2ccccc2Sc2ccc(S(=O)(=O)N(C)C)cc21)N(C)C.
What is the InChIKey of 10-[2-(dimethylamino)propyl]-N,N-dimethylphenothiazine-2-sulfonamide?
The InChIKey is VWNWVCJGUMZDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S2/c1-14(20(2)3)13-22-16-8-6-7-9-18(16)25-19-11-10-15(12-17(19)22)26(23,24)21(4)5/h6-12,14H,13H2,1-5H3.
What are the key properties of 10-[2-(dimethylamino)propyl]-N,N-dimethylphenothiazine-2-sulfonamide?
10-[2-(dimethylamino)propyl]-N,N-dimethylphenothiazine-2-sulfonamide has a molecular weight of 391.56 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(dimethylamino)propyl]-N,N-dimethylphenothiazine-2-sulfonamide is sourced from PubChem (CID 3089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).