2,2-dimethyl-1-phenothiazin-10-ylpropan-1-one;methane

C19H25NOS — CID 158923820

IUPAC2,2-dimethyl-1-phenothiazin-10-ylpropan-1-one;methane
SMILESC.C.CC(C)(C)C(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H17NOS.2CH4/c1-17(2,3)16(19)18-12-8-4-6-10-14(12)20-15-11-7-5-9-13(15)18;;/h4-11H,1-3H3;2*1H4
InChIKeyJIEHWTVFFDOTRQ-UHFFFAOYSA-N
MW315.48 g/mol
LogP6.13
Rot. Bonds

About 2,2-dimethyl-1-phenothiazin-10-ylpropan-1-one;methane

2,2-dimethyl-1-phenothiazin-10-ylpropan-1-one;methane (PubChem CID 158923820) has the molecular formula C19H25NOS and a molecular weight of 315.48 g/mol. Its IUPAC name is 2,2-dimethyl-1-phenothiazin-10-ylpropan-1-one;methane.

Molecular Properties

Compound Name2,2-dimethyl-1-phenothiazin-10-ylpropan-1-one;methane
PubChem CID158923820
Molecular FormulaC19H25NOS
Molecular Weight315.48 g/mol
Exact Mass315.17
IUPAC Name2,2-dimethyl-1-phenothiazin-10-ylpropan-1-one;methane
SMILESC.C.CC(C)(C)C(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H17NOS.2CH4/c1-17(2,3)16(19)18-12-8-4-6-10-14(12)20-15-11-7-5-9-13(15)18;;/h4-11H,1-3H3;2*1H4
InChIKeyJIEHWTVFFDOTRQ-UHFFFAOYSA-N
XLogP6.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.48
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3,3-tetrafluoro-4-oxo-4-phenothiazin-10-ylbutanoate
CID 164746772
N'-(4-tert-butylbenzoyl)phenothiazine-10-carbohydrazide
CID 4928336
1-phenothiazin-10-ylprop-2-en-1-one
CID 13012850
methylamino phenothiazine-10-carboxylate;hydrochloride
CID 16680311
3-bromo-1-phenothiazin-10-ylpropan-1-one
CID 3487991
2,2,2-trifluoro-1-[1-(trifluoromethyl)phenothiazin-10-yl]ethanone
CID 87738459
1-[(2E)-2-(1-sulfanylethylidene)-1,3-benzothiazol-3-yl]ethanone
CID 163654376
2-methylpropyl phenothiazine-10-carboxylate
CID 139765578
1-(12,13-dimethyl-2,9-dithia-16-azatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10(15),11,13,17,19-nonaen-16-yl)ethanone
CID 11794003
(4-methoxyphenyl)-phenothiazin-10-ylmethanone
CID 1237217
N-[(1S)-1-phenylethyl]phenothiazine-10-carboxamide
CID 705761
methyl 2-(phenothiazine-10-carbonylamino)benzoate
CID 1045457

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-phenothiazin-10-ylpropan-1-one;methane?
The IUPAC name of 2,2-dimethyl-1-phenothiazin-10-ylpropan-1-one;methane (CID 158923820) is 2,2-dimethyl-1-phenothiazin-10-ylpropan-1-one;methane.
What is the SMILES notation for 2,2-dimethyl-1-phenothiazin-10-ylpropan-1-one;methane?
The canonical SMILES for 2,2-dimethyl-1-phenothiazin-10-ylpropan-1-one;methane is C.C.CC(C)(C)C(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 2,2-dimethyl-1-phenothiazin-10-ylpropan-1-one;methane?
The InChIKey is JIEHWTVFFDOTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS.2CH4/c1-17(2,3)16(19)18-12-8-4-6-10-14(12)20-15-11-7-5-9-13(15)18;;/h4-11H,1-3H3;2*1H4.
What are the key properties of 2,2-dimethyl-1-phenothiazin-10-ylpropan-1-one;methane?
2,2-dimethyl-1-phenothiazin-10-ylpropan-1-one;methane has a molecular weight of 315.48 g/mol, XLogP of 6.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-phenothiazin-10-ylpropan-1-one;methane is sourced from PubChem (CID 158923820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).