4-[(2,4-dichlorophenyl)methyl]-1,4-thiazinane 1,1-dioxide

C11H13Cl2NO2S — CID 51108757

IUPAC4-[(2,4-dichlorophenyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C11H13Cl2NO2S/c12-10-2-1-9(11(13)7-10)8-14-3-5-17(15,16)6-4-14/h1-2,7H,3-6,8H2
InChIKeyONAXRTSCVAOZGI-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.22
Rot. Bonds2

About 4-[(2,4-dichlorophenyl)methyl]-1,4-thiazinane 1,1-dioxide

4-[(2,4-dichlorophenyl)methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 51108757) has the molecular formula C11H13Cl2NO2S and a molecular weight of 294.20 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenyl)methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[(2,4-dichlorophenyl)methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID51108757
Molecular FormulaC11H13Cl2NO2S
Molecular Weight294.20 g/mol
Exact Mass293.00
IUPAC Name4-[(2,4-dichlorophenyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C11H13Cl2NO2S/c12-10-2-1-9(11(13)7-10)8-14-3-5-17(15,16)6-4-14/h1-2,7H,3-6,8H2
InChIKeyONAXRTSCVAOZGI-UHFFFAOYSA-N
XLogP2.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]azetidine
CID 127007358
2,4-dichloro-6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenol
CID 82977282
4-[(2,4-dichlorophenyl)methyl]thiomorpholine
CID 1377068
3-chloro-4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzenecarboximidamide
CID 102667769
4-(chloromethyl)-1-[(2,4-dichlorophenyl)methyl]piperidine
CID 63387554
3-(bromomethyl)-1-[(2,4-dichlorophenyl)methyl]azetidine
CID 130531229
4-[(2,4-dichlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 34781962
1-[(2,4-dichlorophenyl)methyl]azetidin-3-amine
CID 65245032
N-(2,5-dichlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43920409
2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-2-methylpropanethioamide
CID 63342622
1-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine
CID 750916
3-[4-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-3,5-dimethylpyrazol-1-yl]thiolane 1,1-dioxide
CID 90508272

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorophenyl)methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[(2,4-dichlorophenyl)methyl]-1,4-thiazinane 1,1-dioxide (CID 51108757) is 4-[(2,4-dichlorophenyl)methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[(2,4-dichlorophenyl)methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[(2,4-dichlorophenyl)methyl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(Cc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 4-[(2,4-dichlorophenyl)methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is ONAXRTSCVAOZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2S/c12-10-2-1-9(11(13)7-10)8-14-3-5-17(15,16)6-4-14/h1-2,7H,3-6,8H2.
What are the key properties of 4-[(2,4-dichlorophenyl)methyl]-1,4-thiazinane 1,1-dioxide?
4-[(2,4-dichlorophenyl)methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 294.20 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorophenyl)methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 51108757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).