cyclopropyl(phenothiazin-10-yl)methanone

C16H13NOS — CID 774523

IUPACcyclopropyl(phenothiazin-10-yl)methanone
SMILESO=C(C1CC1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C16H13NOS/c18-16(11-9-10-11)17-12-5-1-3-7-14(12)19-15-8-4-2-6-13(15)17/h1-8,11H,9-10H2
InChIKeyMBEOIHUIHCYTDB-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.23
Rot. Bonds1

About cyclopropyl(phenothiazin-10-yl)methanone

cyclopropyl(phenothiazin-10-yl)methanone (PubChem CID 774523) has the molecular formula C16H13NOS and a molecular weight of 267.35 g/mol. Its IUPAC name is cyclopropyl(phenothiazin-10-yl)methanone.

Molecular Properties

Compound Namecyclopropyl(phenothiazin-10-yl)methanone
PubChem CID774523
Molecular FormulaC16H13NOS
Molecular Weight267.35 g/mol
Exact Mass267.07
IUPAC Namecyclopropyl(phenothiazin-10-yl)methanone
SMILESO=C(C1CC1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C16H13NOS/c18-16(11-9-10-11)17-12-5-1-3-7-14(12)19-15-8-4-2-6-13(15)17/h1-8,11H,9-10H2
InChIKeyMBEOIHUIHCYTDB-UHFFFAOYSA-N
XLogP4.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Dimethylamino)-1-(10H-phenothiazin-10-yl)-1-propanone
CID 113918
2-(Diethylamino)-1-(10H-phenothiazin-10-yl)ethanone
CID 69500
10-Acetylphenothiazine
CID 74200
1-(10H-Phenothiazin-10-yl)-2-phenylethan-1-one
CID 1238015
1-(10H-Phenothiazin-10-yl)-2-(pyrrolidin-1-yl)ethan-1-one
CID 114337
10-(Chloroacetyl)-10H-phenothiazine
CID 69920
2-(Dimethylamino)-1-(10H-phenothiazin-10-yl)ethanone
CID 68846
10-Phenylphenothiazine
CID 95203
1-(10H-phenothiazin-10-yl)-4-phenylbutan-1-one
CID 44435200
1-(10H-phenothiazin-10-yl)-3-phenylpropan-1-one
CID 893336
10-(2-(Diethylamino)propionyl)phenothiazine
CID 1403
tert-butyl 10H-phenothiazine-10-carboxylate
CID 44568319

Frequently Asked Questions

What is the IUPAC name of cyclopropyl(phenothiazin-10-yl)methanone?
The IUPAC name of cyclopropyl(phenothiazin-10-yl)methanone (CID 774523) is cyclopropyl(phenothiazin-10-yl)methanone.
What is the SMILES notation for cyclopropyl(phenothiazin-10-yl)methanone?
The canonical SMILES for cyclopropyl(phenothiazin-10-yl)methanone is O=C(C1CC1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of cyclopropyl(phenothiazin-10-yl)methanone?
The InChIKey is MBEOIHUIHCYTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS/c18-16(11-9-10-11)17-12-5-1-3-7-14(12)19-15-8-4-2-6-13(15)17/h1-8,11H,9-10H2.
What are the key properties of cyclopropyl(phenothiazin-10-yl)methanone?
cyclopropyl(phenothiazin-10-yl)methanone has a molecular weight of 267.35 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl(phenothiazin-10-yl)methanone is sourced from PubChem (CID 774523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).