ethyl N-[(5S)-5-oxo-10H-phenothiazin-2-yl]carbamate

C15H14N2O3S — CID 773651

IUPACethyl N-[(5S)-5-oxo-10H-phenothiazin-2-yl]carbamate
SMILESCCOC(=O)Nc1ccc2c(c1)Nc1ccccc1[S@@]2=O
InChIInChI=1S/C15H14N2O3S/c1-2-20-15(18)16-10-7-8-14-12(9-10)17-11-5-3-4-6-13(11)21(14)19/h3-9,17H,2H2,1H3,(H,16,18)/t21-/m0/s1
InChIKeyZPXCIVPWYDVLGT-NRFANRHFSA-N
MW302.36 g/mol
LogP3.48
Rot. Bonds2

About ethyl N-[(5S)-5-oxo-10H-phenothiazin-2-yl]carbamate

ethyl N-[(5S)-5-oxo-10H-phenothiazin-2-yl]carbamate (PubChem CID 773651) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is ethyl N-[(5S)-5-oxo-10H-phenothiazin-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(5S)-5-oxo-10H-phenothiazin-2-yl]carbamate
PubChem CID773651
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Nameethyl N-[(5S)-5-oxo-10H-phenothiazin-2-yl]carbamate
SMILESCCOC(=O)Nc1ccc2c(c1)Nc1ccccc1[S@@]2=O
InChIInChI=1S/C15H14N2O3S/c1-2-20-15(18)16-10-7-8-14-12(9-10)17-11-5-3-4-6-13(11)21(14)19/h3-9,17H,2H2,1H3,(H,16,18)/t21-/m0/s1
InChIKeyZPXCIVPWYDVLGT-NRFANRHFSA-N
XLogP3.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-(10H-phenothiazin-3-yl)carbamate
CID 15556094
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
butyl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate
CID 130317864
[3-(ethoxycarbonylamino)phenyl]carbamic acid
CID 12763081
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
ethyl N-[3-[[4-(ethoxycarbonylamino)benzoyl]amino]phenyl]carbamate
CID 110178338
1-[4-(ethoxycarbonylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112557944
ethyl N-(4-benzyl-3-propylphenyl)carbamate
CID 159677631
ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate
CID 17164270
ethyl N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)carbamate
CID 40887756
ethyl N-(3-amino-4-fluorophenyl)carbamate
CID 22005857
ethyl N-(3-chloro-4-hydroxyphenyl)carbamate
CID 64787909

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(5S)-5-oxo-10H-phenothiazin-2-yl]carbamate?
The IUPAC name of ethyl N-[(5S)-5-oxo-10H-phenothiazin-2-yl]carbamate (CID 773651) is ethyl N-[(5S)-5-oxo-10H-phenothiazin-2-yl]carbamate.
What is the SMILES notation for ethyl N-[(5S)-5-oxo-10H-phenothiazin-2-yl]carbamate?
The canonical SMILES for ethyl N-[(5S)-5-oxo-10H-phenothiazin-2-yl]carbamate is CCOC(=O)Nc1ccc2c(c1)Nc1ccccc1[S@@]2=O.
What is the InChIKey of ethyl N-[(5S)-5-oxo-10H-phenothiazin-2-yl]carbamate?
The InChIKey is ZPXCIVPWYDVLGT-NRFANRHFSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-2-20-15(18)16-10-7-8-14-12(9-10)17-11-5-3-4-6-13(11)21(14)19/h3-9,17H,2H2,1H3,(H,16,18)/t21-/m0/s1.
What are the key properties of ethyl N-[(5S)-5-oxo-10H-phenothiazin-2-yl]carbamate?
ethyl N-[(5S)-5-oxo-10H-phenothiazin-2-yl]carbamate has a molecular weight of 302.36 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(5S)-5-oxo-10H-phenothiazin-2-yl]carbamate is sourced from PubChem (CID 773651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).