2-tert-butyl-3-(iodomethyl)-1,2-thiazolidine 1,1-dioxide

C8H16INO2S — CID 155931790

IUPAC2-tert-butyl-3-(iodomethyl)-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)(C)N1C(CI)CCS1(=O)=O
InChIInChI=1S/C8H16INO2S/c1-8(2,3)10-7(6-9)4-5-13(10,11)12/h7H,4-6H2,1-3H3
InChIKeyWNJAZNPNUZFGIA-UHFFFAOYSA-N
MW317.19 g/mol
LogP1.62
Rot. Bonds1

About 2-tert-butyl-3-(iodomethyl)-1,2-thiazolidine 1,1-dioxide

2-tert-butyl-3-(iodomethyl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 155931790) has the molecular formula C8H16INO2S and a molecular weight of 317.19 g/mol. Its IUPAC name is 2-tert-butyl-3-(iodomethyl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-tert-butyl-3-(iodomethyl)-1,2-thiazolidine 1,1-dioxide
PubChem CID155931790
Molecular FormulaC8H16INO2S
Molecular Weight317.19 g/mol
Exact Mass316.99
IUPAC Name2-tert-butyl-3-(iodomethyl)-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)(C)N1C(CI)CCS1(=O)=O
InChIInChI=1S/C8H16INO2S/c1-8(2,3)10-7(6-9)4-5-13(10,11)12/h7H,4-6H2,1-3H3
InChIKeyWNJAZNPNUZFGIA-UHFFFAOYSA-N
XLogP1.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-(iodomethyl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-tert-butyl-3-(iodomethyl)-1,2-thiazolidine 1,1-dioxide (CID 155931790) is 2-tert-butyl-3-(iodomethyl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-tert-butyl-3-(iodomethyl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-tert-butyl-3-(iodomethyl)-1,2-thiazolidine 1,1-dioxide is CC(C)(C)N1C(CI)CCS1(=O)=O.
What is the InChIKey of 2-tert-butyl-3-(iodomethyl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is WNJAZNPNUZFGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16INO2S/c1-8(2,3)10-7(6-9)4-5-13(10,11)12/h7H,4-6H2,1-3H3.
What are the key properties of 2-tert-butyl-3-(iodomethyl)-1,2-thiazolidine 1,1-dioxide?
2-tert-butyl-3-(iodomethyl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 317.19 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-(iodomethyl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 155931790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).