2-hexyl-1,2-thiazolidine 1,1-dioxide

C9H19NO2S — CID 23563333

IUPAC2-hexyl-1,2-thiazolidine 1,1-dioxide
SMILESCCCCCCN1CCCS1(=O)=O
InChIInChI=1S/C9H19NO2S/c1-2-3-4-5-7-10-8-6-9-13(10,11)12/h2-9H2,1H3
InChIKeySTRWAWCNPRFFPX-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.60
Rot. Bonds5

About 2-hexyl-1,2-thiazolidine 1,1-dioxide

2-hexyl-1,2-thiazolidine 1,1-dioxide (PubChem CID 23563333) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 2-hexyl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-hexyl-1,2-thiazolidine 1,1-dioxide
PubChem CID23563333
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name2-hexyl-1,2-thiazolidine 1,1-dioxide
SMILESCCCCCCN1CCCS1(=O)=O
InChIInChI=1S/C9H19NO2S/c1-2-3-4-5-7-10-8-6-9-13(10,11)12/h2-9H2,1H3
InChIKeySTRWAWCNPRFFPX-UHFFFAOYSA-N
XLogP1.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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Related Compounds

Isothiazolidine, 2-(3-pentyl)-, 1,1-dioxide
CID 52615
Isothiazolidine, 2-cyclohexyl-, 1,1-dioxide
CID 52612
Isothiazolidine, 2-dodecyl-, 1,1-dioxide
CID 52613
3-(Hexyldimethylammonio)propane-1-sulfonate
CID 12013370
1-Methylsulfonyl-2-propylpyrrolidine
CID 59852648
1-Propylsulfonylpyrrolidine
CID 303057
1-Butylsulfonylpyrrolidine
CID 303063
1-Cyclopentylsulfonylpyrrolidine
CID 70821962
N,N-Dibutylethanesulfonamide
CID 303050
Methanesulfonamide, N,N-dihexyl-
CID 533126
Methylsulphonamide, N-ethyl-N-hexyl-
CID 91715472
N,N-diethylhexane-1-sulfonamide
CID 11253021

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-hexyl-1,2-thiazolidine 1,1-dioxide (CID 23563333) is 2-hexyl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-hexyl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-hexyl-1,2-thiazolidine 1,1-dioxide is CCCCCCN1CCCS1(=O)=O.
What is the InChIKey of 2-hexyl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is STRWAWCNPRFFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-2-3-4-5-7-10-8-6-9-13(10,11)12/h2-9H2,1H3.
What are the key properties of 2-hexyl-1,2-thiazolidine 1,1-dioxide?
2-hexyl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 205.32 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 23563333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).