[1-(3-methylsulfonylpropyl)pyrrol-3-yl]methanol

C9H15NO3S — CID 66400171

IUPAC[1-(3-methylsulfonylpropyl)pyrrol-3-yl]methanol
SMILESCS(=O)(=O)CCCn1ccc(CO)c1
InChIInChI=1S/C9H15NO3S/c1-14(12,13)6-2-4-10-5-3-9(7-10)8-11/h3,5,7,11H,2,4,6,8H2,1H3
InChIKeyNKPRBEZOONJIAB-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.42
Rot. Bonds5

About [1-(3-methylsulfonylpropyl)pyrrol-3-yl]methanol

[1-(3-methylsulfonylpropyl)pyrrol-3-yl]methanol (PubChem CID 66400171) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is [1-(3-methylsulfonylpropyl)pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-methylsulfonylpropyl)pyrrol-3-yl]methanol
PubChem CID66400171
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Name[1-(3-methylsulfonylpropyl)pyrrol-3-yl]methanol
SMILESCS(=O)(=O)CCCn1ccc(CO)c1
InChIInChI=1S/C9H15NO3S/c1-14(12,13)6-2-4-10-5-3-9(7-10)8-11/h3,5,7,11H,2,4,6,8H2,1H3
InChIKeyNKPRBEZOONJIAB-UHFFFAOYSA-N
XLogP0.42
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(3-methylsulfonylpropyl)pyrrol-3-yl]methanol?
The IUPAC name of [1-(3-methylsulfonylpropyl)pyrrol-3-yl]methanol (CID 66400171) is [1-(3-methylsulfonylpropyl)pyrrol-3-yl]methanol.
What is the SMILES notation for [1-(3-methylsulfonylpropyl)pyrrol-3-yl]methanol?
The canonical SMILES for [1-(3-methylsulfonylpropyl)pyrrol-3-yl]methanol is CS(=O)(=O)CCCn1ccc(CO)c1.
What is the InChIKey of [1-(3-methylsulfonylpropyl)pyrrol-3-yl]methanol?
The InChIKey is NKPRBEZOONJIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-14(12,13)6-2-4-10-5-3-9(7-10)8-11/h3,5,7,11H,2,4,6,8H2,1H3.
What are the key properties of [1-(3-methylsulfonylpropyl)pyrrol-3-yl]methanol?
[1-(3-methylsulfonylpropyl)pyrrol-3-yl]methanol has a molecular weight of 217.29 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylsulfonylpropyl)pyrrol-3-yl]methanol is sourced from PubChem (CID 66400171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).