2-[(4-chlorophenyl)methyl]-6-[(3-methoxyphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide

C18H21ClN2O3S — CID 53003763

IUPAC2-[(4-chlorophenyl)methyl]-6-[(3-methoxyphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
SMILESCOc1cccc(CN2CCCN(Cc3ccc(Cl)cc3)S2(=O)=O)c1
InChIInChI=1S/C18H21ClN2O3S/c1-24-18-5-2-4-16(12-18)14-21-11-3-10-20(25(21,22)23)13-15-6-8-17(19)9-7-15/h2,4-9,12H,3,10-11,13-14H2,1H3
InChIKeyNEQAVPGJJGQEEN-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.30
Rot. Bonds5

About 2-[(4-chlorophenyl)methyl]-6-[(3-methoxyphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide

2-[(4-chlorophenyl)methyl]-6-[(3-methoxyphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide (PubChem CID 53003763) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-6-[(3-methoxyphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-6-[(3-methoxyphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
PubChem CID53003763
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name2-[(4-chlorophenyl)methyl]-6-[(3-methoxyphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
SMILESCOc1cccc(CN2CCCN(Cc3ccc(Cl)cc3)S2(=O)=O)c1
InChIInChI=1S/C18H21ClN2O3S/c1-24-18-5-2-4-16(12-18)14-21-11-3-10-20(25(21,22)23)13-15-6-8-17(19)9-7-15/h2,4-9,12H,3,10-11,13-14H2,1H3
InChIKeyNEQAVPGJJGQEEN-UHFFFAOYSA-N
XLogP3.30
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-2-[6-[(3-methoxyphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 46341936
2-[6-[(4-chlorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(3,5-dimethoxyphenyl)acetamide
CID 20921568
2-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1,3-diazinane
CID 20857150
(2S)-2-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1,3-diazinane
CID 92569496
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
2-[(4-chlorophenyl)methyl]-6-[(2,5-dimethylphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide
CID 20921508
N-[(4-methoxyphenyl)methyl]-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 20952531
[(5R)-2-[(3-methoxyphenyl)methyl]-1,1-dioxo-1,2-thiazolidin-5-yl]methanamine
CID 125054106
2-[6-[(3-chlorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 46279768
N-(2,4-dimethoxyphenyl)-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 18590916
N-(2-fluorophenyl)-2-[6-[(4-methoxyphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 46341961
N-(4-chlorophenyl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 22195037

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-6-[(3-methoxyphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-6-[(3-methoxyphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide (CID 53003763) is 2-[(4-chlorophenyl)methyl]-6-[(3-methoxyphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-6-[(3-methoxyphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-6-[(3-methoxyphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide is COc1cccc(CN2CCCN(Cc3ccc(Cl)cc3)S2(=O)=O)c1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-6-[(3-methoxyphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
The InChIKey is NEQAVPGJJGQEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-24-18-5-2-4-16(12-18)14-21-11-3-10-20(25(21,22)23)13-15-6-8-17(19)9-7-15/h2,4-9,12H,3,10-11,13-14H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-6-[(3-methoxyphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide?
2-[(4-chlorophenyl)methyl]-6-[(3-methoxyphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide has a molecular weight of 380.90 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-6-[(3-methoxyphenyl)methyl]-1,2,6-thiadiazinane 1,1-dioxide is sourced from PubChem (CID 53003763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).