(3-methyl-1-methylsulfonylpyrrolidin-2-yl)methanol

C7H15NO3S — CID 102786209

IUPAC(3-methyl-1-methylsulfonylpyrrolidin-2-yl)methanol
SMILESCC1CCN(S(C)(=O)=O)C1CO
InChIInChI=1S/C7H15NO3S/c1-6-3-4-8(7(6)5-9)12(2,10)11/h6-7,9H,3-5H2,1-2H3
InChIKeyJGQLXSAEDZBUQN-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.35
Rot. Bonds2

About (3-methyl-1-methylsulfonylpyrrolidin-2-yl)methanol

(3-methyl-1-methylsulfonylpyrrolidin-2-yl)methanol (PubChem CID 102786209) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is (3-methyl-1-methylsulfonylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(3-methyl-1-methylsulfonylpyrrolidin-2-yl)methanol
PubChem CID102786209
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name(3-methyl-1-methylsulfonylpyrrolidin-2-yl)methanol
SMILESCC1CCN(S(C)(=O)=O)C1CO
InChIInChI=1S/C7H15NO3S/c1-6-3-4-8(7(6)5-9)12(2,10)11/h6-7,9H,3-5H2,1-2H3
InChIKeyJGQLXSAEDZBUQN-UHFFFAOYSA-N
XLogP-0.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-methylsulfonylpyrrolidin-2-yl)methanol?
The IUPAC name of (3-methyl-1-methylsulfonylpyrrolidin-2-yl)methanol (CID 102786209) is (3-methyl-1-methylsulfonylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (3-methyl-1-methylsulfonylpyrrolidin-2-yl)methanol?
The canonical SMILES for (3-methyl-1-methylsulfonylpyrrolidin-2-yl)methanol is CC1CCN(S(C)(=O)=O)C1CO.
What is the InChIKey of (3-methyl-1-methylsulfonylpyrrolidin-2-yl)methanol?
The InChIKey is JGQLXSAEDZBUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-6-3-4-8(7(6)5-9)12(2,10)11/h6-7,9H,3-5H2,1-2H3.
What are the key properties of (3-methyl-1-methylsulfonylpyrrolidin-2-yl)methanol?
(3-methyl-1-methylsulfonylpyrrolidin-2-yl)methanol has a molecular weight of 193.27 g/mol, XLogP of -0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-methylsulfonylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 102786209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).