[1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methanol

C11H19NO3S — CID 106717193

IUPAC[1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methanol
SMILESCC(C)(C)S(=O)(=O)CCn1cccc1CO
InChIInChI=1S/C11H19NO3S/c1-11(2,3)16(14,15)8-7-12-6-4-5-10(12)9-13/h4-6,13H,7-9H2,1-3H3
InChIKeyPUUKPFLGLRTTCZ-UHFFFAOYSA-N
MW245.34 g/mol
LogP1.19
Rot. Bonds4

About [1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methanol

[1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methanol (PubChem CID 106717193) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is [1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methanol
PubChem CID106717193
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name[1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methanol
SMILESCC(C)(C)S(=O)(=O)CCn1cccc1CO
InChIInChI=1S/C11H19NO3S/c1-11(2,3)16(14,15)8-7-12-6-4-5-10(12)9-13/h4-6,13H,7-9H2,1-3H3
InChIKeyPUUKPFLGLRTTCZ-UHFFFAOYSA-N
XLogP1.19
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methanol?
The IUPAC name of [1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methanol (CID 106717193) is [1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methanol.
What is the SMILES notation for [1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methanol?
The canonical SMILES for [1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methanol is CC(C)(C)S(=O)(=O)CCn1cccc1CO.
What is the InChIKey of [1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methanol?
The InChIKey is PUUKPFLGLRTTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-11(2,3)16(14,15)8-7-12-6-4-5-10(12)9-13/h4-6,13H,7-9H2,1-3H3.
What are the key properties of [1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methanol?
[1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methanol has a molecular weight of 245.34 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methanol is sourced from PubChem (CID 106717193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).