2-hex-5-ynyl-2-methyl-1,3-thiazolidine

C10H17NS — CID 3058792

IUPAC2-hex-5-ynyl-2-methyl-1,3-thiazolidine
SMILESC#CCCCCC1(C)NCCS1
InChIInChI=1S/C10H17NS/c1-3-4-5-6-7-10(2)11-8-9-12-10/h1,11H,4-9H2,2H3
InChIKeyGRGFWTLYMYOBLX-UHFFFAOYSA-N
MW183.32 g/mol
LogP2.23
Rot. Bonds4

About 2-hex-5-ynyl-2-methyl-1,3-thiazolidine

2-hex-5-ynyl-2-methyl-1,3-thiazolidine (PubChem CID 3058792) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 2-hex-5-ynyl-2-methyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-hex-5-ynyl-2-methyl-1,3-thiazolidine
PubChem CID3058792
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name2-hex-5-ynyl-2-methyl-1,3-thiazolidine
SMILESC#CCCCCC1(C)NCCS1
InChIInChI=1S/C10H17NS/c1-3-4-5-6-7-10(2)11-8-9-12-10/h1,11H,4-9H2,2H3
InChIKeyGRGFWTLYMYOBLX-UHFFFAOYSA-N
XLogP2.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
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-2-methyl-1,3-thiazolidine?
The IUPAC name of 2-hex-5-ynyl-2-methyl-1,3-thiazolidine (CID 3058792) is 2-hex-5-ynyl-2-methyl-1,3-thiazolidine.
What is the SMILES notation for 2-hex-5-ynyl-2-methyl-1,3-thiazolidine?
The canonical SMILES for 2-hex-5-ynyl-2-methyl-1,3-thiazolidine is C#CCCCCC1(C)NCCS1.
What is the InChIKey of 2-hex-5-ynyl-2-methyl-1,3-thiazolidine?
The InChIKey is GRGFWTLYMYOBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-3-4-5-6-7-10(2)11-8-9-12-10/h1,11H,4-9H2,2H3.
What are the key properties of 2-hex-5-ynyl-2-methyl-1,3-thiazolidine?
2-hex-5-ynyl-2-methyl-1,3-thiazolidine has a molecular weight of 183.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-5-ynyl-2-methyl-1,3-thiazolidine is sourced from PubChem (CID 3058792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).