2-hex-5-ynyl-4-methyl-1,2-thiazolidine 1,1-dioxide

C10H17NO2S — CID 106209078

IUPAC2-hex-5-ynyl-4-methyl-1,2-thiazolidine 1,1-dioxide
SMILESC#CCCCCN1CC(C)CS1(=O)=O
InChIInChI=1S/C10H17NO2S/c1-3-4-5-6-7-11-8-10(2)9-14(11,12)13/h1,10H,4-9H2,2H3
InChIKeyIJOJURJSFFFNLY-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.07
Rot. Bonds4

About 2-hex-5-ynyl-4-methyl-1,2-thiazolidine 1,1-dioxide

2-hex-5-ynyl-4-methyl-1,2-thiazolidine 1,1-dioxide (PubChem CID 106209078) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-hex-5-ynyl-4-methyl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-hex-5-ynyl-4-methyl-1,2-thiazolidine 1,1-dioxide
PubChem CID106209078
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name2-hex-5-ynyl-4-methyl-1,2-thiazolidine 1,1-dioxide
SMILESC#CCCCCN1CC(C)CS1(=O)=O
InChIInChI=1S/C10H17NO2S/c1-3-4-5-6-7-11-8-10(2)9-14(11,12)13/h1,10H,4-9H2,2H3
InChIKeyIJOJURJSFFFNLY-UHFFFAOYSA-N
XLogP1.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hex-5-ynyl-4-methyl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-hex-5-ynyl-4-methyl-1,2-thiazolidine 1,1-dioxide (CID 106209078) is 2-hex-5-ynyl-4-methyl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-hex-5-ynyl-4-methyl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-hex-5-ynyl-4-methyl-1,2-thiazolidine 1,1-dioxide is C#CCCCCN1CC(C)CS1(=O)=O.
What is the InChIKey of 2-hex-5-ynyl-4-methyl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is IJOJURJSFFFNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-3-4-5-6-7-11-8-10(2)9-14(11,12)13/h1,10H,4-9H2,2H3.
What are the key properties of 2-hex-5-ynyl-4-methyl-1,2-thiazolidine 1,1-dioxide?
2-hex-5-ynyl-4-methyl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 215.32 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-5-ynyl-4-methyl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 106209078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).