10H-phenoxazine;thiophene 1,1-dioxide

C16H13NO3S — CID 159670963

IUPAC10H-phenoxazine;thiophene 1,1-dioxide
SMILESO=S1(=O)C=CC=C1.c1ccc2c(c1)Nc1ccccc1O2
InChIInChI=1S/C12H9NO.C4H4O2S/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;5-7(6)3-1-2-4-7/h1-8,13H;1-4H
InChIKeyMTZMIOUHMUNUOR-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.98
Rot. Bonds

About 10H-phenoxazine;thiophene 1,1-dioxide

10H-phenoxazine;thiophene 1,1-dioxide (PubChem CID 159670963) has the molecular formula C16H13NO3S and a molecular weight of 299.35 g/mol. Its IUPAC name is 10H-phenoxazine;thiophene 1,1-dioxide.

Molecular Properties

Compound Name10H-phenoxazine;thiophene 1,1-dioxide
PubChem CID159670963
Molecular FormulaC16H13NO3S
Molecular Weight299.35 g/mol
Exact Mass299.06
IUPAC Name10H-phenoxazine;thiophene 1,1-dioxide
SMILESO=S1(=O)C=CC=C1.c1ccc2c(c1)Nc1ccccc1O2
InChIInChI=1S/C12H9NO.C4H4O2S/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;5-7(6)3-1-2-4-7/h1-8,13H;1-4H
InChIKeyMTZMIOUHMUNUOR-UHFFFAOYSA-N
XLogP3.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

10H-phenoxazine
CID 161421901
N,N-diphenylaniline;10H-phenoxazine
CID 174810342
14H-naphtho[2,3-b]phenoxazine
CID 141471429
12H-benzo[a]phenoxazine
CID 13409908
10-deuteriophenoxazine
CID 138396006
2-ethyl-10H-phenoxazine
CID 172732916
10H-phenoxazin-1-ylazanium
CID 163682705
5-fluoro-1H-pyrimidine-2,4-dione;10H-phenoxazine
CID 159111962
2-oxa-9,12-diazatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaene
CID 12610237
3-propyl-10H-phenoxazine
CID 140739556
1,10-dihydrophenoxazin-1-ide;zinc
CID 175796362
2-propan-2-ylidene-3H-1,3-benzoxazole
CID 146214721

Frequently Asked Questions

What is the IUPAC name of 10H-phenoxazine;thiophene 1,1-dioxide?
The IUPAC name of 10H-phenoxazine;thiophene 1,1-dioxide (CID 159670963) is 10H-phenoxazine;thiophene 1,1-dioxide.
What is the SMILES notation for 10H-phenoxazine;thiophene 1,1-dioxide?
The canonical SMILES for 10H-phenoxazine;thiophene 1,1-dioxide is O=S1(=O)C=CC=C1.c1ccc2c(c1)Nc1ccccc1O2.
What is the InChIKey of 10H-phenoxazine;thiophene 1,1-dioxide?
The InChIKey is MTZMIOUHMUNUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO.C4H4O2S/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;5-7(6)3-1-2-4-7/h1-8,13H;1-4H.
What are the key properties of 10H-phenoxazine;thiophene 1,1-dioxide?
10H-phenoxazine;thiophene 1,1-dioxide has a molecular weight of 299.35 g/mol, XLogP of 3.98, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-phenoxazine;thiophene 1,1-dioxide is sourced from PubChem (CID 159670963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).