3,3-dimethyl-2-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide

C9H19NO2S — CID 71155077

IUPAC3,3-dimethyl-2-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)CN1C(C)(C)CCS1(=O)=O
InChIInChI=1S/C9H19NO2S/c1-8(2)7-10-9(3,4)5-6-13(10,11)12/h8H,5-7H2,1-4H3
InChIKeyNVRPWPXRCHFKEO-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.46
Rot. Bonds2

About 3,3-dimethyl-2-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide

3,3-dimethyl-2-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 71155077) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 3,3-dimethyl-2-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name3,3-dimethyl-2-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide
PubChem CID71155077
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name3,3-dimethyl-2-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)CN1C(C)(C)CCS1(=O)=O
InChIInChI=1S/C9H19NO2S/c1-8(2)7-10-9(3,4)5-6-13(10,11)12/h8H,5-7H2,1-4H3
InChIKeyNVRPWPXRCHFKEO-UHFFFAOYSA-N
XLogP1.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethyl-2-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide with MolForge

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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-Butylsulfonylpyrrolidine
CID 303063
(3R,4S)-3-fluoro-4-methyl-1-propan-2-ylsulfonylpyrrolidine
CID 132267611
(3S)-3-fluoro-1-(3-methylbutan-2-ylsulfonyl)pyrrolidine
CID 175876212
1-Butylsulfonyl-2-propan-2-ylpyrrolidine
CID 110728284
2-Tert-butyl-3-(iodomethyl)-1,2-thiazolidine 1,1-dioxide
CID 155931790
(2R)-1-butylsulfonyl-2-propan-2-ylpyrrolidine
CID 155936753
3-Fluoro-3-methyl-1-propan-2-ylsulfonylpyrrolidine
CID 131084617
(3S,4R)-3-fluoro-4-methyl-1-propan-2-ylsulfonylpyrrolidine
CID 148082809
(1,1,4-Trimethylpyrrolidin-3-yl)methanesulfonic acid
CID 3798667
2-(2-Methylpropyl)-1,2-thiazolidine 1,1-dioxide
CID 10773654

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 3,3-dimethyl-2-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide (CID 71155077) is 3,3-dimethyl-2-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 3,3-dimethyl-2-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 3,3-dimethyl-2-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide is CC(C)CN1C(C)(C)CCS1(=O)=O.
What is the InChIKey of 3,3-dimethyl-2-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is NVRPWPXRCHFKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-8(2)7-10-9(3,4)5-6-13(10,11)12/h8H,5-7H2,1-4H3.
What are the key properties of 3,3-dimethyl-2-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide?
3,3-dimethyl-2-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 205.32 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(2-methylpropyl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 71155077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).