2-hexyl-3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide

C10H22N2O2S — CID 170219422

IUPAC2-hexyl-3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCCCCCCN1C(C)(C)CNS1(=O)=O
InChIInChI=1S/C10H22N2O2S/c1-4-5-6-7-8-12-10(2,3)9-11-15(12,13)14/h11H,4-9H2,1-3H3
InChIKeyKUWQMEQNONTYRQ-UHFFFAOYSA-N
MW234.36 g/mol
LogP1.50
Rot. Bonds5

About 2-hexyl-3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide

2-hexyl-3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 170219422) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 2-hexyl-3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-hexyl-3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID170219422
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name2-hexyl-3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCCCCCCN1C(C)(C)CNS1(=O)=O
InChIInChI=1S/C10H22N2O2S/c1-4-5-6-7-8-12-10(2,3)9-11-15(12,13)14/h11H,4-9H2,1-3H3
InChIKeyKUWQMEQNONTYRQ-UHFFFAOYSA-N
XLogP1.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hexyl-3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-hexyl-3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide (CID 170219422) is 2-hexyl-3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-hexyl-3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-hexyl-3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide is CCCCCCN1C(C)(C)CNS1(=O)=O.
What is the InChIKey of 2-hexyl-3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is KUWQMEQNONTYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-4-5-6-7-8-12-10(2,3)9-11-15(12,13)14/h11H,4-9H2,1-3H3.
What are the key properties of 2-hexyl-3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide?
2-hexyl-3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 234.36 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-3,3-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 170219422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).