2-butylthiadiazolidine

C6H14N2S — CID 57164517

IUPAC2-butylthiadiazolidine
SMILESCCCCN1NCCS1
InChIInChI=1S/C6H14N2S/c1-2-3-5-8-7-4-6-9-8/h7H,2-6H2,1H3
InChIKeyYARPSVPRBDAUJE-UHFFFAOYSA-N
MW146.26 g/mol
LogP1.25
Rot. Bonds3

About 2-butylthiadiazolidine

2-butylthiadiazolidine (PubChem CID 57164517) has the molecular formula C6H14N2S and a molecular weight of 146.26 g/mol. Its IUPAC name is 2-butylthiadiazolidine.

Molecular Properties

Compound Name2-butylthiadiazolidine
PubChem CID57164517
Molecular FormulaC6H14N2S
Molecular Weight146.26 g/mol
Exact Mass146.09
IUPAC Name2-butylthiadiazolidine
SMILESCCCCN1NCCS1
InChIInChI=1S/C6H14N2S/c1-2-3-5-8-7-4-6-9-8/h7H,2-6H2,1H3
InChIKeyYARPSVPRBDAUJE-UHFFFAOYSA-N
XLogP1.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butylthiadiazolidine?
The IUPAC name of 2-butylthiadiazolidine (CID 57164517) is 2-butylthiadiazolidine.
What is the SMILES notation for 2-butylthiadiazolidine?
The canonical SMILES for 2-butylthiadiazolidine is CCCCN1NCCS1.
What is the InChIKey of 2-butylthiadiazolidine?
The InChIKey is YARPSVPRBDAUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2S/c1-2-3-5-8-7-4-6-9-8/h7H,2-6H2,1H3.
What are the key properties of 2-butylthiadiazolidine?
2-butylthiadiazolidine has a molecular weight of 146.26 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylthiadiazolidine is sourced from PubChem (CID 57164517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).