[1-(2-methylsulfonylethyl)pyrrol-2-yl]methanol

C8H13NO3S — CID 66398455

IUPAC[1-(2-methylsulfonylethyl)pyrrol-2-yl]methanol
SMILESCS(=O)(=O)CCn1cccc1CO
InChIInChI=1S/C8H13NO3S/c1-13(11,12)6-5-9-4-2-3-8(9)7-10/h2-4,10H,5-7H2,1H3
InChIKeyQFFDRZUZPZUQPX-UHFFFAOYSA-N
MW203.26 g/mol
LogP0.03
Rot. Bonds4

About [1-(2-methylsulfonylethyl)pyrrol-2-yl]methanol

[1-(2-methylsulfonylethyl)pyrrol-2-yl]methanol (PubChem CID 66398455) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is [1-(2-methylsulfonylethyl)pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-methylsulfonylethyl)pyrrol-2-yl]methanol
PubChem CID66398455
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name[1-(2-methylsulfonylethyl)pyrrol-2-yl]methanol
SMILESCS(=O)(=O)CCn1cccc1CO
InChIInChI=1S/C8H13NO3S/c1-13(11,12)6-5-9-4-2-3-8(9)7-10/h2-4,10H,5-7H2,1H3
InChIKeyQFFDRZUZPZUQPX-UHFFFAOYSA-N
XLogP0.03
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylsulfonylethyl)pyrrol-2-yl]methanol?
The IUPAC name of [1-(2-methylsulfonylethyl)pyrrol-2-yl]methanol (CID 66398455) is [1-(2-methylsulfonylethyl)pyrrol-2-yl]methanol.
What is the SMILES notation for [1-(2-methylsulfonylethyl)pyrrol-2-yl]methanol?
The canonical SMILES for [1-(2-methylsulfonylethyl)pyrrol-2-yl]methanol is CS(=O)(=O)CCn1cccc1CO.
What is the InChIKey of [1-(2-methylsulfonylethyl)pyrrol-2-yl]methanol?
The InChIKey is QFFDRZUZPZUQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-13(11,12)6-5-9-4-2-3-8(9)7-10/h2-4,10H,5-7H2,1H3.
What are the key properties of [1-(2-methylsulfonylethyl)pyrrol-2-yl]methanol?
[1-(2-methylsulfonylethyl)pyrrol-2-yl]methanol has a molecular weight of 203.26 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylsulfonylethyl)pyrrol-2-yl]methanol is sourced from PubChem (CID 66398455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).