1-propan-2-ylsulfonylimidazolidine

C6H14N2O2S — CID 118937794

IUPAC1-propan-2-ylsulfonylimidazolidine
SMILESCC(C)S(=O)(=O)N1CCNC1
InChIInChI=1S/C6H14N2O2S/c1-6(2)11(9,10)8-4-3-7-5-8/h6-7H,3-5H2,1-2H3
InChIKeyHZSMJXRJJYFEOI-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.41
Rot. Bonds2

About 1-propan-2-ylsulfonylimidazolidine

1-propan-2-ylsulfonylimidazolidine (PubChem CID 118937794) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 1-propan-2-ylsulfonylimidazolidine.

Molecular Properties

Compound Name1-propan-2-ylsulfonylimidazolidine
PubChem CID118937794
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name1-propan-2-ylsulfonylimidazolidine
SMILESCC(C)S(=O)(=O)N1CCNC1
InChIInChI=1S/C6H14N2O2S/c1-6(2)11(9,10)8-4-3-7-5-8/h6-7H,3-5H2,1-2H3
InChIKeyHZSMJXRJJYFEOI-UHFFFAOYSA-N
XLogP-0.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 66085193
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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylsulfonylimidazolidine?
The IUPAC name of 1-propan-2-ylsulfonylimidazolidine (CID 118937794) is 1-propan-2-ylsulfonylimidazolidine.
What is the SMILES notation for 1-propan-2-ylsulfonylimidazolidine?
The canonical SMILES for 1-propan-2-ylsulfonylimidazolidine is CC(C)S(=O)(=O)N1CCNC1.
What is the InChIKey of 1-propan-2-ylsulfonylimidazolidine?
The InChIKey is HZSMJXRJJYFEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-6(2)11(9,10)8-4-3-7-5-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-propan-2-ylsulfonylimidazolidine?
1-propan-2-ylsulfonylimidazolidine has a molecular weight of 178.26 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylsulfonylimidazolidine is sourced from PubChem (CID 118937794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).