2-(2,2,5,5-tetramethylhexan-3-yl)-1,2-thiazolidine 1-oxide

C13H27NOS — CID 170320285

IUPAC2-(2,2,5,5-tetramethylhexan-3-yl)-1,2-thiazolidine 1-oxide
SMILESCC(C)(C)CC(N1CCCS1=O)C(C)(C)C
InChIInChI=1S/C13H27NOS/c1-12(2,3)10-11(13(4,5)6)14-8-7-9-16(14)15/h11H,7-10H2,1-6H3
InChIKeyDSBHGEDCBXLPTB-UHFFFAOYSA-N
MW245.43 g/mol
LogP3.21
Rot. Bonds2

About 2-(2,2,5,5-tetramethylhexan-3-yl)-1,2-thiazolidine 1-oxide

2-(2,2,5,5-tetramethylhexan-3-yl)-1,2-thiazolidine 1-oxide (PubChem CID 170320285) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is 2-(2,2,5,5-tetramethylhexan-3-yl)-1,2-thiazolidine 1-oxide.

Molecular Properties

Compound Name2-(2,2,5,5-tetramethylhexan-3-yl)-1,2-thiazolidine 1-oxide
PubChem CID170320285
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC Name2-(2,2,5,5-tetramethylhexan-3-yl)-1,2-thiazolidine 1-oxide
SMILESCC(C)(C)CC(N1CCCS1=O)C(C)(C)C
InChIInChI=1S/C13H27NOS/c1-12(2,3)10-11(13(4,5)6)14-8-7-9-16(14)15/h11H,7-10H2,1-6H3
InChIKeyDSBHGEDCBXLPTB-UHFFFAOYSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(2,2,5,5-tetramethylhexan-3-yl)-1,2-thiazolidine 1-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Isothiazolidine, 2-(2,4,4-trimethyl-2-pentyl)-, 1,1-dioxide
CID 52616
1-Butylsulfonyl-2-propan-2-ylpyrrolidine
CID 110728284
(2R)-1-butylsulfonyl-2-propan-2-ylpyrrolidine
CID 155936753
2-(4,4-Dimethylpentyl)-1,2-thiazolidine 1,1-dioxide
CID 58052595
2-Tert-butyl-1-methylsulfonylpyrrolidine
CID 58945982
5-(2-Methylpropyl)-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide
CID 67806877
4-(3-Methylbutyl)-2-propan-2-yl-1,2-thiazolidine 1,1-dioxide
CID 67807407
2-Tert-butyl-1-propylsulfonylpyrrolidine
CID 67953202
(2R)-2-tert-butyl-1-methylsulfonylpyrrolidine
CID 89549588
3-Tert-butyl-2-methyl-1,2-thiazolidine 1,1-dioxide
CID 118424450
2,5-Ditert-butyl-1,2-thiazolidine 1,1-dioxide
CID 138668034
5-Tert-butyl-2-ethyl-1,2-thiazolidine 1,1-dioxide
CID 155369936

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,5,5-tetramethylhexan-3-yl)-1,2-thiazolidine 1-oxide?
The IUPAC name of 2-(2,2,5,5-tetramethylhexan-3-yl)-1,2-thiazolidine 1-oxide (CID 170320285) is 2-(2,2,5,5-tetramethylhexan-3-yl)-1,2-thiazolidine 1-oxide.
What is the SMILES notation for 2-(2,2,5,5-tetramethylhexan-3-yl)-1,2-thiazolidine 1-oxide?
The canonical SMILES for 2-(2,2,5,5-tetramethylhexan-3-yl)-1,2-thiazolidine 1-oxide is CC(C)(C)CC(N1CCCS1=O)C(C)(C)C.
What is the InChIKey of 2-(2,2,5,5-tetramethylhexan-3-yl)-1,2-thiazolidine 1-oxide?
The InChIKey is DSBHGEDCBXLPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-12(2,3)10-11(13(4,5)6)14-8-7-9-16(14)15/h11H,7-10H2,1-6H3.
What are the key properties of 2-(2,2,5,5-tetramethylhexan-3-yl)-1,2-thiazolidine 1-oxide?
2-(2,2,5,5-tetramethylhexan-3-yl)-1,2-thiazolidine 1-oxide has a molecular weight of 245.43 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,5,5-tetramethylhexan-3-yl)-1,2-thiazolidine 1-oxide is sourced from PubChem (CID 170320285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).