2-(1-methylsulfonylpyrrol-2-yl)propan-2-ol

C8H13NO3S — CID 84671660

IUPAC2-(1-methylsulfonylpyrrol-2-yl)propan-2-ol
SMILESCC(C)(O)c1cccn1S(C)(=O)=O
InChIInChI=1S/C8H13NO3S/c1-8(2,10)7-5-4-6-9(7)13(3,11)12/h4-6,10H,1-3H3
InChIKeyWYZRBPCVCCUMHZ-UHFFFAOYSA-N
MW203.26 g/mol
LogP0.52
Rot. Bonds2

About 2-(1-methylsulfonylpyrrol-2-yl)propan-2-ol

2-(1-methylsulfonylpyrrol-2-yl)propan-2-ol (PubChem CID 84671660) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is 2-(1-methylsulfonylpyrrol-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(1-methylsulfonylpyrrol-2-yl)propan-2-ol
PubChem CID84671660
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name2-(1-methylsulfonylpyrrol-2-yl)propan-2-ol
SMILESCC(C)(O)c1cccn1S(C)(=O)=O
InChIInChI=1S/C8H13NO3S/c1-8(2,10)7-5-4-6-9(7)13(3,11)12/h4-6,10H,1-3H3
InChIKeyWYZRBPCVCCUMHZ-UHFFFAOYSA-N
XLogP0.52
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylpyrrol-2-yl)propan-2-ol?
The IUPAC name of 2-(1-methylsulfonylpyrrol-2-yl)propan-2-ol (CID 84671660) is 2-(1-methylsulfonylpyrrol-2-yl)propan-2-ol.
What is the SMILES notation for 2-(1-methylsulfonylpyrrol-2-yl)propan-2-ol?
The canonical SMILES for 2-(1-methylsulfonylpyrrol-2-yl)propan-2-ol is CC(C)(O)c1cccn1S(C)(=O)=O.
What is the InChIKey of 2-(1-methylsulfonylpyrrol-2-yl)propan-2-ol?
The InChIKey is WYZRBPCVCCUMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-8(2,10)7-5-4-6-9(7)13(3,11)12/h4-6,10H,1-3H3.
What are the key properties of 2-(1-methylsulfonylpyrrol-2-yl)propan-2-ol?
2-(1-methylsulfonylpyrrol-2-yl)propan-2-ol has a molecular weight of 203.26 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylpyrrol-2-yl)propan-2-ol is sourced from PubChem (CID 84671660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).