1-tert-butylsulfonyl-5,5-dimethylpyrrolidin-3-ol

C10H21NO3S — CID 115275347

IUPAC1-tert-butylsulfonyl-5,5-dimethylpyrrolidin-3-ol
SMILESCC1(C)CC(O)CN1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H21NO3S/c1-9(2,3)15(13,14)11-7-8(12)6-10(11,4)5/h8,12H,6-7H2,1-5H3
InChIKeyWGXWSAWKXOYYQP-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.96
Rot. Bonds1

About 1-tert-butylsulfonyl-5,5-dimethylpyrrolidin-3-ol

1-tert-butylsulfonyl-5,5-dimethylpyrrolidin-3-ol (PubChem CID 115275347) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-tert-butylsulfonyl-5,5-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-tert-butylsulfonyl-5,5-dimethylpyrrolidin-3-ol
PubChem CID115275347
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name1-tert-butylsulfonyl-5,5-dimethylpyrrolidin-3-ol
SMILESCC1(C)CC(O)CN1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H21NO3S/c1-9(2,3)15(13,14)11-7-8(12)6-10(11,4)5/h8,12H,6-7H2,1-5H3
InChIKeyWGXWSAWKXOYYQP-UHFFFAOYSA-N
XLogP0.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfonyl-5,5-dimethylpyrrolidin-3-ol?
The IUPAC name of 1-tert-butylsulfonyl-5,5-dimethylpyrrolidin-3-ol (CID 115275347) is 1-tert-butylsulfonyl-5,5-dimethylpyrrolidin-3-ol.
What is the SMILES notation for 1-tert-butylsulfonyl-5,5-dimethylpyrrolidin-3-ol?
The canonical SMILES for 1-tert-butylsulfonyl-5,5-dimethylpyrrolidin-3-ol is CC1(C)CC(O)CN1S(=O)(=O)C(C)(C)C.
What is the InChIKey of 1-tert-butylsulfonyl-5,5-dimethylpyrrolidin-3-ol?
The InChIKey is WGXWSAWKXOYYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-9(2,3)15(13,14)11-7-8(12)6-10(11,4)5/h8,12H,6-7H2,1-5H3.
What are the key properties of 1-tert-butylsulfonyl-5,5-dimethylpyrrolidin-3-ol?
1-tert-butylsulfonyl-5,5-dimethylpyrrolidin-3-ol has a molecular weight of 235.35 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfonyl-5,5-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 115275347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).