[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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2,6-dichlorophenyl)imino-1,3-thiazinan-3-yl]ethanone
CID 56693082
(2R)-6-[2-(2-chlorophenyl)imino-1,3-thiazinane-3-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one
CID 40855992
2-(2,6-dichlorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone
CID 7948452
[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone
CID 2425635
3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[(3S)-1,1-dioxothiolan-3-yl]methanone
CID 95235125
2-(2-chlorophenyl)imino-N-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidine-3-carboxamide
CID 3094981
S-methyl 2-(4-cyanonaphthalen-1-yl)imino-1-thia-3-azacycloundecane-3-carbothioate
CID 143349246
[2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-3-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 7924091
1-[4-[2-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]-2-oxoethoxy]phenyl]propan-1-one
CID 8746600
(7-chloro-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(oxan-4-yl)methanone
CID 71976138
N-(3-chlorophenyl)-2-(2-methylphenyl)imino-1,3-thiazolidine-3-carbothioamide
CID 3707888
[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-cyclopentylmethanone
CID 110797839

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).