2-(3-methylpentan-3-yl)-1,2-thiazolidine 1,1-dioxide

C9H19NO2S — CID 58910215

IUPAC2-(3-methylpentan-3-yl)-1,2-thiazolidine 1,1-dioxide
SMILESCCC(C)(CC)N1CCCS1(=O)=O
InChIInChI=1S/C9H19NO2S/c1-4-9(3,5-2)10-7-6-8-13(10,11)12/h4-8H2,1-3H3
InChIKeyDVCUBPBLJKIZIN-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.60
Rot. Bonds3

About 2-(3-methylpentan-3-yl)-1,2-thiazolidine 1,1-dioxide

2-(3-methylpentan-3-yl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 58910215) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 2-(3-methylpentan-3-yl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(3-methylpentan-3-yl)-1,2-thiazolidine 1,1-dioxide
PubChem CID58910215
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name2-(3-methylpentan-3-yl)-1,2-thiazolidine 1,1-dioxide
SMILESCCC(C)(CC)N1CCCS1(=O)=O
InChIInChI=1S/C9H19NO2S/c1-4-9(3,5-2)10-7-6-8-13(10,11)12/h4-8H2,1-3H3
InChIKeyDVCUBPBLJKIZIN-UHFFFAOYSA-N
XLogP1.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Isothiazolidine, 2-(3-pentyl)-, 1,1-dioxide
CID 52615
Isothiazolidine, 2-(2,4,4-trimethyl-2-pentyl)-, 1,1-dioxide
CID 52616
1-Pentylsulfonylpyrrolidine
CID 303120
2-Tert-butyl-3-(iodomethyl)-5-methyl-1,2-thiazolidine 1,1-dioxide
CID 155931221
(3R,5R)-2-tert-butyl-3-(iodomethyl)-5-methyl-1,2-thiazolidine 1,1-dioxide
CID 155932176
(3R,5S)-2-tert-butyl-3-(iodomethyl)-5-methyl-1,2-thiazolidine 1,1-dioxide
CID 155932269
2,3,3-Trimethyl-1,2-thiazolidine 1,1-dioxide
CID 20743502
2-(tert-Butyl)isothiazolidine 1,1-dioxide
CID 21132146
3,4,5-Trimethyl-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide
CID 57870643
2-(2,2-Dimethylpropyl)-1,2-thiazolidine 1,1-dioxide
CID 58394948
1-(3-Methylbutylsulfonyl)pyrrolidine
CID 58689031
2-Methyl-1-(3-methylbutylsulfonyl)pyrrolidine
CID 58689211

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpentan-3-yl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-(3-methylpentan-3-yl)-1,2-thiazolidine 1,1-dioxide (CID 58910215) is 2-(3-methylpentan-3-yl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(3-methylpentan-3-yl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-(3-methylpentan-3-yl)-1,2-thiazolidine 1,1-dioxide is CCC(C)(CC)N1CCCS1(=O)=O.
What is the InChIKey of 2-(3-methylpentan-3-yl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is DVCUBPBLJKIZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-4-9(3,5-2)10-7-6-8-13(10,11)12/h4-8H2,1-3H3.
What are the key properties of 2-(3-methylpentan-3-yl)-1,2-thiazolidine 1,1-dioxide?
2-(3-methylpentan-3-yl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 205.32 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpentan-3-yl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 58910215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).