3-propan-2-ylsulfonylpyrrolidine;hydrochloride

C7H16ClNO2S — CID 72716324

IUPAC3-propan-2-ylsulfonylpyrrolidine;hydrochloride
SMILESCC(C)S(=O)(=O)C1CCNC1.Cl
InChIInChI=1S/C7H15NO2S.ClH/c1-6(2)11(9,10)7-3-4-8-5-7;/h6-8H,3-5H2,1-2H3;1H
InChIKeySBRKWSBHHFXTHX-UHFFFAOYSA-N
MW213.73 g/mol
LogP0.59
Rot. Bonds2

About 3-propan-2-ylsulfonylpyrrolidine;hydrochloride

3-propan-2-ylsulfonylpyrrolidine;hydrochloride (PubChem CID 72716324) has the molecular formula C7H16ClNO2S and a molecular weight of 213.73 g/mol. Its IUPAC name is 3-propan-2-ylsulfonylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-propan-2-ylsulfonylpyrrolidine;hydrochloride
PubChem CID72716324
Molecular FormulaC7H16ClNO2S
Molecular Weight213.73 g/mol
Exact Mass213.06
IUPAC Name3-propan-2-ylsulfonylpyrrolidine;hydrochloride
SMILESCC(C)S(=O)(=O)C1CCNC1.Cl
InChIInChI=1S/C7H15NO2S.ClH/c1-6(2)11(9,10)7-3-4-8-5-7;/h6-8H,3-5H2,1-2H3;1H
InChIKeySBRKWSBHHFXTHX-UHFFFAOYSA-N
XLogP0.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.73
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylsulfonylpyrrolidine;hydrochloride?
The IUPAC name of 3-propan-2-ylsulfonylpyrrolidine;hydrochloride (CID 72716324) is 3-propan-2-ylsulfonylpyrrolidine;hydrochloride.
What is the SMILES notation for 3-propan-2-ylsulfonylpyrrolidine;hydrochloride?
The canonical SMILES for 3-propan-2-ylsulfonylpyrrolidine;hydrochloride is CC(C)S(=O)(=O)C1CCNC1.Cl.
What is the InChIKey of 3-propan-2-ylsulfonylpyrrolidine;hydrochloride?
The InChIKey is SBRKWSBHHFXTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S.ClH/c1-6(2)11(9,10)7-3-4-8-5-7;/h6-8H,3-5H2,1-2H3;1H.
What are the key properties of 3-propan-2-ylsulfonylpyrrolidine;hydrochloride?
3-propan-2-ylsulfonylpyrrolidine;hydrochloride has a molecular weight of 213.73 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylsulfonylpyrrolidine;hydrochloride is sourced from PubChem (CID 72716324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).