[2-(2-chlorophenyl)imino-1,3-thiazinan-3-yl]-cyclopentylmethanone

C16H19ClN2OS — CID 7921363

IUPAC[2-(2-chlorophenyl)imino-1,3-thiazinan-3-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCCS/C1=N\c1ccccc1Cl
InChIInChI=1S/C16H19ClN2OS/c17-13-8-3-4-9-14(13)18-16-19(10-5-11-21-16)15(20)12-6-1-2-7-12/h3-4,8-9,12H,1-2,5-7,10-11H2/b18-16-
InChIKeyCLJIHGFTZNAZNI-VLGSPTGOSA-N
MW322.86 g/mol
LogP4.48
Rot. Bonds2

About [2-(2-chlorophenyl)imino-1,3-thiazinan-3-yl]-cyclopentylmethanone

[2-(2-chlorophenyl)imino-1,3-thiazinan-3-yl]-cyclopentylmethanone (PubChem CID 7921363) has the molecular formula C16H19ClN2OS and a molecular weight of 322.86 g/mol. Its IUPAC name is [2-(2-chlorophenyl)imino-1,3-thiazinan-3-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)imino-1,3-thiazinan-3-yl]-cyclopentylmethanone
PubChem CID7921363
Molecular FormulaC16H19ClN2OS
Molecular Weight322.86 g/mol
Exact Mass322.09
IUPAC Name[2-(2-chlorophenyl)imino-1,3-thiazinan-3-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCCS/C1=N\c1ccccc1Cl
InChIInChI=1S/C16H19ClN2OS/c17-13-8-3-4-9-14(13)18-16-19(10-5-11-21-16)15(20)12-6-1-2-7-12/h3-4,8-9,12H,1-2,5-7,10-11H2/b18-16-
InChIKeyCLJIHGFTZNAZNI-VLGSPTGOSA-N
XLogP4.48
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)imino-1,3-thiazinan-3-yl]-cyclopentylmethanone?
The IUPAC name of [2-(2-chlorophenyl)imino-1,3-thiazinan-3-yl]-cyclopentylmethanone (CID 7921363) is [2-(2-chlorophenyl)imino-1,3-thiazinan-3-yl]-cyclopentylmethanone.
What is the SMILES notation for [2-(2-chlorophenyl)imino-1,3-thiazinan-3-yl]-cyclopentylmethanone?
The canonical SMILES for [2-(2-chlorophenyl)imino-1,3-thiazinan-3-yl]-cyclopentylmethanone is O=C(C1CCCC1)N1CCCS/C1=N\c1ccccc1Cl.
What is the InChIKey of [2-(2-chlorophenyl)imino-1,3-thiazinan-3-yl]-cyclopentylmethanone?
The InChIKey is CLJIHGFTZNAZNI-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H19ClN2OS/c17-13-8-3-4-9-14(13)18-16-19(10-5-11-21-16)15(20)12-6-1-2-7-12/h3-4,8-9,12H,1-2,5-7,10-11H2/b18-16-.
What are the key properties of [2-(2-chlorophenyl)imino-1,3-thiazinan-3-yl]-cyclopentylmethanone?
[2-(2-chlorophenyl)imino-1,3-thiazinan-3-yl]-cyclopentylmethanone has a molecular weight of 322.86 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)imino-1,3-thiazinan-3-yl]-cyclopentylmethanone is sourced from PubChem (CID 7921363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).