10-[3-(dimethylamino)propanoyl]-N,N-dimethylphenothiazine-2-sulfonamide

C19H23N3O3S2 — CID 142888728

IUPAC10-[3-(dimethylamino)propanoyl]-N,N-dimethylphenothiazine-2-sulfonamide
SMILESCN(C)CCC(=O)N1c2ccccc2Sc2ccc(S(=O)(=O)N(C)C)cc21
InChIInChI=1S/C19H23N3O3S2/c1-20(2)12-11-19(23)22-15-7-5-6-8-17(15)26-18-10-9-14(13-16(18)22)27(24,25)21(3)4/h5-10,13H,11-12H2,1-4H3
InChIKeyXGDKXXUQIGHHGD-UHFFFAOYSA-N
MW405.55 g/mol
LogP3.02
Rot. Bonds5

About 10-[3-(dimethylamino)propanoyl]-N,N-dimethylphenothiazine-2-sulfonamide

10-[3-(dimethylamino)propanoyl]-N,N-dimethylphenothiazine-2-sulfonamide (PubChem CID 142888728) has the molecular formula C19H23N3O3S2 and a molecular weight of 405.55 g/mol. Its IUPAC name is 10-[3-(dimethylamino)propanoyl]-N,N-dimethylphenothiazine-2-sulfonamide.

Molecular Properties

Compound Name10-[3-(dimethylamino)propanoyl]-N,N-dimethylphenothiazine-2-sulfonamide
PubChem CID142888728
Molecular FormulaC19H23N3O3S2
Molecular Weight405.55 g/mol
Exact Mass405.12
IUPAC Name10-[3-(dimethylamino)propanoyl]-N,N-dimethylphenothiazine-2-sulfonamide
SMILESCN(C)CCC(=O)N1c2ccccc2Sc2ccc(S(=O)(=O)N(C)C)cc21
InChIInChI=1S/C19H23N3O3S2/c1-20(2)12-11-19(23)22-15-7-5-6-8-17(15)26-18-10-9-14(13-16(18)22)27(24,25)21(3)4/h5-10,13H,11-12H2,1-4H3
InChIKeyXGDKXXUQIGHHGD-UHFFFAOYSA-N
XLogP3.02
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone
CID 709851
10-[3-(4-butylpiperazin-1-yl)propyl]-N,N-dimethylphenothiazine-2-sulfonamide
CID 90928542
(9E)-9-[3-(dimethylamino)propylidene]-N,N-dimethylthioxanthene-2-sulfonamide;hydrochloride
CID 6445244
4-chloro-N,N-diethyl-3-(phenothiazine-10-carbonyl)benzenesulfonamide
CID 1036851
N-[2-[4-[3-[2-(dimethylsulfamoyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl]acetamide
CID 25010511
3-amino-1-(2-chlorophenothiazin-10-yl)propan-1-one;hydrochloride
CID 24747135
3-bromo-1-phenothiazin-10-ylpropan-1-one
CID 3487991
N,N-dimethyl-10-[3-[4-(trideuteriomethyl)piperazin-1-yl]propyl]phenothiazine-2-sulfonamide
CID 71752527
3-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide
CID 55621722
4-(dimethylsulfamoyl)-N-(3-phenothiazin-10-ylpropyl)benzamide
CID 55652135
(9E)-9-[1-hydroxy-3-(4-methylpiperazin-1-yl)propylidene]-N,N-dimethylthioxanthene-2-sulfonamide
CID 147517946
decanoic acid;10-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propyl]-N,N-dimethylphenothiazine-2-sulfonamide
CID 70091154

Frequently Asked Questions

What is the IUPAC name of 10-[3-(dimethylamino)propanoyl]-N,N-dimethylphenothiazine-2-sulfonamide?
The IUPAC name of 10-[3-(dimethylamino)propanoyl]-N,N-dimethylphenothiazine-2-sulfonamide (CID 142888728) is 10-[3-(dimethylamino)propanoyl]-N,N-dimethylphenothiazine-2-sulfonamide.
What is the SMILES notation for 10-[3-(dimethylamino)propanoyl]-N,N-dimethylphenothiazine-2-sulfonamide?
The canonical SMILES for 10-[3-(dimethylamino)propanoyl]-N,N-dimethylphenothiazine-2-sulfonamide is CN(C)CCC(=O)N1c2ccccc2Sc2ccc(S(=O)(=O)N(C)C)cc21.
What is the InChIKey of 10-[3-(dimethylamino)propanoyl]-N,N-dimethylphenothiazine-2-sulfonamide?
The InChIKey is XGDKXXUQIGHHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S2/c1-20(2)12-11-19(23)22-15-7-5-6-8-17(15)26-18-10-9-14(13-16(18)22)27(24,25)21(3)4/h5-10,13H,11-12H2,1-4H3.
What are the key properties of 10-[3-(dimethylamino)propanoyl]-N,N-dimethylphenothiazine-2-sulfonamide?
10-[3-(dimethylamino)propanoyl]-N,N-dimethylphenothiazine-2-sulfonamide has a molecular weight of 405.55 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(dimethylamino)propanoyl]-N,N-dimethylphenothiazine-2-sulfonamide is sourced from PubChem (CID 142888728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).