2-[3-(3,5-dimethylphenoxy)propyl]-1,2-thiazolidine 1,1-dioxide

C14H21NO3S — CID 60522986

IUPAC2-[3-(3,5-dimethylphenoxy)propyl]-1,2-thiazolidine 1,1-dioxide
SMILESCc1cc(C)cc(OCCCN2CCCS2(=O)=O)c1
InChIInChI=1S/C14H21NO3S/c1-12-9-13(2)11-14(10-12)18-7-3-5-15-6-4-8-19(15,16)17/h9-11H,3-8H2,1-2H3
InChIKeyFSSDMMLNTHECGB-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.11
Rot. Bonds5

About 2-[3-(3,5-dimethylphenoxy)propyl]-1,2-thiazolidine 1,1-dioxide

2-[3-(3,5-dimethylphenoxy)propyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 60522986) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylphenoxy)propyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[3-(3,5-dimethylphenoxy)propyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID60522986
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name2-[3-(3,5-dimethylphenoxy)propyl]-1,2-thiazolidine 1,1-dioxide
SMILESCc1cc(C)cc(OCCCN2CCCS2(=O)=O)c1
InChIInChI=1S/C14H21NO3S/c1-12-9-13(2)11-14(10-12)18-7-3-5-15-6-4-8-19(15,16)17/h9-11H,3-8H2,1-2H3
InChIKeyFSSDMMLNTHECGB-UHFFFAOYSA-N
XLogP2.11
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3,5-Dimethylphenoxy)ethyl]-4-methylsulfonyl-1,4-diazepane
CID 51076398
1-[2-(3,5-Dimethylphenoxy)ethyl]pyrrolidine
CID 867206
1-[3-(3-Methylphenoxy)propyl]pyrrolidine
CID 2841216
N-(2-(3,5-dimethylphenoxy)ethyl)methanesulfonamide
CID 30867117
1-(Isopropylsulfonyl)-3-(2-phenoxyethyl)pyrrolidine
CID 91919954
(4S,5R)-1-oxido-4-(phenoxymethyl)-5-phenyl-2-propan-2-yl-4,5-dihydro-3H-1,2-thiazole 1-oxide
CID 134786393
3-(3,5-dimethylphenoxy)-N,N-diethyl-1-propanamine
CID 2245489
N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanesulfonamide
CID 71909482
2-[2-(4-Ethylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide
CID 75532067
1-(Ethylsulfonyl)-3-(3-methylphenoxy)azetidine
CID 129620652
3-(2-fluoro-3-methylphenoxy)-N,N-dimethylpropane-1-sulfonamide
CID 123330365
2-(2-fluoro-3-methylphenoxy)-N,N-dimethylethanesulfonamide
CID 123616652

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylphenoxy)propyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[3-(3,5-dimethylphenoxy)propyl]-1,2-thiazolidine 1,1-dioxide (CID 60522986) is 2-[3-(3,5-dimethylphenoxy)propyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[3-(3,5-dimethylphenoxy)propyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[3-(3,5-dimethylphenoxy)propyl]-1,2-thiazolidine 1,1-dioxide is Cc1cc(C)cc(OCCCN2CCCS2(=O)=O)c1.
What is the InChIKey of 2-[3-(3,5-dimethylphenoxy)propyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is FSSDMMLNTHECGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-12-9-13(2)11-14(10-12)18-7-3-5-15-6-4-8-19(15,16)17/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-[3-(3,5-dimethylphenoxy)propyl]-1,2-thiazolidine 1,1-dioxide?
2-[3-(3,5-dimethylphenoxy)propyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 283.39 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylphenoxy)propyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 60522986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).