2-[(1S)-1-(2-chlorophenyl)ethyl]imino-5-(2-hydroxypropan-2-yl)-1,3-thiazinan-4-one

C15H19ClN2O2S — CID 143468539

IUPAC2-[(1S)-1-(2-chlorophenyl)ethyl]imino-5-(2-hydroxypropan-2-yl)-1,3-thiazinan-4-one
SMILESC[C@H](/N=C1/NC(=O)C(C(C)(C)O)CS1)c1ccccc1Cl
InChIInChI=1S/C15H19ClN2O2S/c1-9(10-6-4-5-7-12(10)16)17-14-18-13(19)11(8-21-14)15(2,3)20/h4-7,9,11,20H,8H2,1-3H3,(H,17,18,19)/t9-,11?/m0/s1
InChIKeyLAGNBUPZLZFYLY-FTNKSUMCSA-N
MW326.85 g/mol
LogP3.01
Rot. Bonds3

About 2-[(1S)-1-(2-chlorophenyl)ethyl]imino-5-(2-hydroxypropan-2-yl)-1,3-thiazinan-4-one

2-[(1S)-1-(2-chlorophenyl)ethyl]imino-5-(2-hydroxypropan-2-yl)-1,3-thiazinan-4-one (PubChem CID 143468539) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 2-[(1S)-1-(2-chlorophenyl)ethyl]imino-5-(2-hydroxypropan-2-yl)-1,3-thiazinan-4-one.

Molecular Properties

Compound Name2-[(1S)-1-(2-chlorophenyl)ethyl]imino-5-(2-hydroxypropan-2-yl)-1,3-thiazinan-4-one
PubChem CID143468539
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name2-[(1S)-1-(2-chlorophenyl)ethyl]imino-5-(2-hydroxypropan-2-yl)-1,3-thiazinan-4-one
SMILESC[C@H](/N=C1/NC(=O)C(C(C)(C)O)CS1)c1ccccc1Cl
InChIInChI=1S/C15H19ClN2O2S/c1-9(10-6-4-5-7-12(10)16)17-14-18-13(19)11(8-21-14)15(2,3)20/h4-7,9,11,20H,8H2,1-3H3,(H,17,18,19)/t9-,11?/m0/s1
InChIKeyLAGNBUPZLZFYLY-FTNKSUMCSA-N
XLogP3.01
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(1S)-1-(2-chlorophenyl)ethyl]imino-1-thia-3-azaspiro[4.4]nonan-4-one
CID 135989486
2-(4-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-2-ol
CID 117199815
5-[4-(aminomethyl)phenyl]-2-[(1S)-1-(2-chlorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one;ethane
CID 143467950
N-[1-(2-chlorophenyl)ethyl]-N-methylazetidin-3-amine
CID 62978284
1-chloro-2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)propan-2-ol
CID 70136322
2-amino-3-(2-chlorophenyl)-2-methylbutanoic acid
CID 118914338
1,1,2-trichloro-2-(2-chlorophenyl)ethanol
CID 22614151
N-[1-(2-chlorophenyl)ethyl]spiro[1,4-dihydroquinoline-3,4'-thiane]-2-imine
CID 153198108
2-amino-1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 119852079
1-chloro-2-(2,2,4-trimethylpentan-3-yl)benzene
CID 154618386
1-[1-(2-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62978499
(5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazolidin-4-one
CID 135566449

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(2-chlorophenyl)ethyl]imino-5-(2-hydroxypropan-2-yl)-1,3-thiazinan-4-one?
The IUPAC name of 2-[(1S)-1-(2-chlorophenyl)ethyl]imino-5-(2-hydroxypropan-2-yl)-1,3-thiazinan-4-one (CID 143468539) is 2-[(1S)-1-(2-chlorophenyl)ethyl]imino-5-(2-hydroxypropan-2-yl)-1,3-thiazinan-4-one.
What is the SMILES notation for 2-[(1S)-1-(2-chlorophenyl)ethyl]imino-5-(2-hydroxypropan-2-yl)-1,3-thiazinan-4-one?
The canonical SMILES for 2-[(1S)-1-(2-chlorophenyl)ethyl]imino-5-(2-hydroxypropan-2-yl)-1,3-thiazinan-4-one is C[C@H](/N=C1/NC(=O)C(C(C)(C)O)CS1)c1ccccc1Cl.
What is the InChIKey of 2-[(1S)-1-(2-chlorophenyl)ethyl]imino-5-(2-hydroxypropan-2-yl)-1,3-thiazinan-4-one?
The InChIKey is LAGNBUPZLZFYLY-FTNKSUMCSA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c1-9(10-6-4-5-7-12(10)16)17-14-18-13(19)11(8-21-14)15(2,3)20/h4-7,9,11,20H,8H2,1-3H3,(H,17,18,19)/t9-,11?/m0/s1.
What are the key properties of 2-[(1S)-1-(2-chlorophenyl)ethyl]imino-5-(2-hydroxypropan-2-yl)-1,3-thiazinan-4-one?
2-[(1S)-1-(2-chlorophenyl)ethyl]imino-5-(2-hydroxypropan-2-yl)-1,3-thiazinan-4-one has a molecular weight of 326.85 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(2-chlorophenyl)ethyl]imino-5-(2-hydroxypropan-2-yl)-1,3-thiazinan-4-one is sourced from PubChem (CID 143468539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).