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'}

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

N-[3-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)propyl]cyclopropanamine
CID 79589412
1-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]cyclohexan-1-ol
CID 104549905
2-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]butanoic acid
CID 79580015
trideca-1,12-diyne
CID 13119526
heptatriaconta-1,36-diyne
CID 58527209
6-methyl-1-pent-4-ynylpiperidine-3-carboxamide
CID 115873029
1-but-3-ynyl-5-methylpiperidine-3-carboxylic acid
CID 130804536
1-hex-5-ynyl-3-methyl-1,4-diazepane
CID 106211631
4-methyl-2-(4-methylpent-1-yn-3-yl)-1,2-thiazolidine 1,1-dioxide
CID 130481412
3-hex-5-ynyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 106209099
1-hex-5-ynyl-2-methyl-5-propan-2-ylpiperazine
CID 106211794
5-cyclopropyl-1-hex-5-ynyl-2-methylpiperazine
CID 106211645

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).