dimethyl-[2-(phenothiazine-10-carbonylamino)ethyl]azanium

C17H20N3OS+ — CID 4086597

IUPACdimethyl-[2-(phenothiazine-10-carbonylamino)ethyl]azanium
SMILESC[NH+](C)CCNC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H19N3OS/c1-19(2)12-11-18-17(21)20-13-7-3-5-9-15(13)22-16-10-6-4-8-14(16)20/h3-10H,11-12H2,1-2H3,(H,18,21)/p+1
InChIKeyNHWMBOUDDPKQIB-UHFFFAOYSA-O
MW314.43 g/mol
LogP2.14
Rot. Bonds3

About dimethyl-[2-(phenothiazine-10-carbonylamino)ethyl]azanium

dimethyl-[2-(phenothiazine-10-carbonylamino)ethyl]azanium (PubChem CID 4086597) has the molecular formula C17H20N3OS+ and a molecular weight of 314.43 g/mol. Its IUPAC name is dimethyl-[2-(phenothiazine-10-carbonylamino)ethyl]azanium.

Molecular Properties

Compound Namedimethyl-[2-(phenothiazine-10-carbonylamino)ethyl]azanium
PubChem CID4086597
Molecular FormulaC17H20N3OS+
Molecular Weight314.43 g/mol
Exact Mass314.13
IUPAC Namedimethyl-[2-(phenothiazine-10-carbonylamino)ethyl]azanium
SMILESC[NH+](C)CCNC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H19N3OS/c1-19(2)12-11-18-17(21)20-13-7-3-5-9-15(13)22-16-10-6-4-8-14(16)20/h3-10H,11-12H2,1-2H3,(H,18,21)/p+1
InChIKeyNHWMBOUDDPKQIB-UHFFFAOYSA-O
XLogP2.14
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze dimethyl-[2-(phenothiazine-10-carbonylamino)ethyl]azanium 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

1-(dimethylamino)-N-ethylphenothiazine-10-carboxamide
CID 170311642
N-[(2S)-2-ethylhexyl]phenothiazine-10-carboxamide
CID 94842488
N-(2-butylsulfanylethyl)-2-chlorophenothiazine-10-carboxamide
CID 3040858
N-[(1S)-1-phenylethyl]phenothiazine-10-carboxamide
CID 705761
N-(pyridin-3-ylmethyl)phenothiazine-10-carboxamide
CID 704264
N-(4-phenylbutan-2-yl)phenothiazine-10-carboxamide
CID 2972347
N-(2-chlorophenyl)phenothiazine-10-carboxamide
CID 19916612
N-(4,6-dichloropyrimidin-5-yl)phenothiazine-10-carboxamide
CID 2045214
N-(4-butan-2-ylphenyl)phenothiazine-10-carboxamide
CID 2936908
methylamino phenothiazine-10-carboxylate;hydrochloride
CID 16680311
N'-(4-tert-butylbenzoyl)phenothiazine-10-carbohydrazide
CID 4928336
N-[4-(dimethylamino)phenyl]phenothiazine-10-carboxamide
CID 3709693

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-(phenothiazine-10-carbonylamino)ethyl]azanium?
The IUPAC name of dimethyl-[2-(phenothiazine-10-carbonylamino)ethyl]azanium (CID 4086597) is dimethyl-[2-(phenothiazine-10-carbonylamino)ethyl]azanium.
What is the SMILES notation for dimethyl-[2-(phenothiazine-10-carbonylamino)ethyl]azanium?
The canonical SMILES for dimethyl-[2-(phenothiazine-10-carbonylamino)ethyl]azanium is C[NH+](C)CCNC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of dimethyl-[2-(phenothiazine-10-carbonylamino)ethyl]azanium?
The InChIKey is NHWMBOUDDPKQIB-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H19N3OS/c1-19(2)12-11-18-17(21)20-13-7-3-5-9-15(13)22-16-10-6-4-8-14(16)20/h3-10H,11-12H2,1-2H3,(H,18,21)/p+1.
What are the key properties of dimethyl-[2-(phenothiazine-10-carbonylamino)ethyl]azanium?
dimethyl-[2-(phenothiazine-10-carbonylamino)ethyl]azanium has a molecular weight of 314.43 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-(phenothiazine-10-carbonylamino)ethyl]azanium is sourced from PubChem (CID 4086597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).