3-N,3-N,7-N,7-N-tetramethyl-5-oxo-10H-phenothiazine-3,7-diamine

C16H19N3OS — CID 86238854

IUPAC3-N,3-N,7-N,7-N-tetramethyl-5-oxo-10H-phenothiazine-3,7-diamine
SMILESCN(C)c1ccc2c(c1)S(=O)c1cc(N(C)C)ccc1N2
InChIInChI=1S/C16H19N3OS/c1-18(2)11-5-7-13-15(9-11)21(20)16-10-12(19(3)4)6-8-14(16)17-13/h5-10,17H,1-4H3
InChIKeyUUGBPERLBVWYSC-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.04
Rot. Bonds2

About 3-N,3-N,7-N,7-N-tetramethyl-5-oxo-10H-phenothiazine-3,7-diamine

3-N,3-N,7-N,7-N-tetramethyl-5-oxo-10H-phenothiazine-3,7-diamine (PubChem CID 86238854) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 3-N,3-N,7-N,7-N-tetramethyl-5-oxo-10H-phenothiazine-3,7-diamine.

Molecular Properties

Compound Name3-N,3-N,7-N,7-N-tetramethyl-5-oxo-10H-phenothiazine-3,7-diamine
PubChem CID86238854
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name3-N,3-N,7-N,7-N-tetramethyl-5-oxo-10H-phenothiazine-3,7-diamine
SMILESCN(C)c1ccc2c(c1)S(=O)c1cc(N(C)C)ccc1N2
InChIInChI=1S/C16H19N3OS/c1-18(2)11-5-7-13-15(9-11)21(20)16-10-12(19(3)4)6-8-14(16)17-13/h5-10,17H,1-4H3
InChIKeyUUGBPERLBVWYSC-UHFFFAOYSA-N
XLogP3.04
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl hypochlorite;3-N,3-N,7-N,7-N-tetramethyl-10H-phenoxazine-3,7-diamine
CID 143988875
3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazine-3,7-diamine;dihydroiodide
CID 16747676
3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazin-5-ium-3,7-diamine bromide
CID 157292937
10-chloro-2-N,2-N-dimethyl-5H-phenazine-2,8-diamine
CID 174994612
3-N,7-N,7-N-trimethyl-10H-phenothiazin-5-ium-3,7-diamine iodide
CID 161338300
N,N-dimethyl-2,3-dihydro-1H-indol-5-amine
CID 16767807
N,N-dimethyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride
CID 139022525
3-N,3-N,7-N,7-N-tetrakis(trideuteriomethyl)-10H-phenothiazine-3,7-diamine
CID 170996970
7-(dimethylamino)-1,2,3,5-tetrahydro-1-benzazepin-4-one
CID 82396575
N,N,3,4-tetramethylaniline
CID 12595466
1-[3,7-bis(dimethylamino)-10H-phenothiazin-1-yl]ethanone
CID 154159109
6-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 12001471

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,7-N,7-N-tetramethyl-5-oxo-10H-phenothiazine-3,7-diamine?
The IUPAC name of 3-N,3-N,7-N,7-N-tetramethyl-5-oxo-10H-phenothiazine-3,7-diamine (CID 86238854) is 3-N,3-N,7-N,7-N-tetramethyl-5-oxo-10H-phenothiazine-3,7-diamine.
What is the SMILES notation for 3-N,3-N,7-N,7-N-tetramethyl-5-oxo-10H-phenothiazine-3,7-diamine?
The canonical SMILES for 3-N,3-N,7-N,7-N-tetramethyl-5-oxo-10H-phenothiazine-3,7-diamine is CN(C)c1ccc2c(c1)S(=O)c1cc(N(C)C)ccc1N2.
What is the InChIKey of 3-N,3-N,7-N,7-N-tetramethyl-5-oxo-10H-phenothiazine-3,7-diamine?
The InChIKey is UUGBPERLBVWYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-18(2)11-5-7-13-15(9-11)21(20)16-10-12(19(3)4)6-8-14(16)17-13/h5-10,17H,1-4H3.
What are the key properties of 3-N,3-N,7-N,7-N-tetramethyl-5-oxo-10H-phenothiazine-3,7-diamine?
3-N,3-N,7-N,7-N-tetramethyl-5-oxo-10H-phenothiazine-3,7-diamine has a molecular weight of 301.42 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,7-N,7-N-tetramethyl-5-oxo-10H-phenothiazine-3,7-diamine is sourced from PubChem (CID 86238854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).