(1,1-dioxothian-2-yl)-(1H-pyrrol-2-yl)methanol

C10H15NO3S — CID 104521192

IUPAC(1,1-dioxothian-2-yl)-(1H-pyrrol-2-yl)methanol
SMILESO=S1(=O)CCCCC1C(O)c1ccc[nH]1
InChIInChI=1S/C10H15NO3S/c12-10(8-4-3-6-11-8)9-5-1-2-7-15(9,13)14/h3-4,6,9-12H,1-2,5,7H2
InChIKeyIQCGNBSQMKCARK-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.02
Rot. Bonds2

About (1,1-dioxothian-2-yl)-(1H-pyrrol-2-yl)methanol

(1,1-dioxothian-2-yl)-(1H-pyrrol-2-yl)methanol (PubChem CID 104521192) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is (1,1-dioxothian-2-yl)-(1H-pyrrol-2-yl)methanol.

Molecular Properties

Compound Name(1,1-dioxothian-2-yl)-(1H-pyrrol-2-yl)methanol
PubChem CID104521192
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name(1,1-dioxothian-2-yl)-(1H-pyrrol-2-yl)methanol
SMILESO=S1(=O)CCCCC1C(O)c1ccc[nH]1
InChIInChI=1S/C10H15NO3S/c12-10(8-4-3-6-11-8)9-5-1-2-7-15(9,13)14/h3-4,6,9-12H,1-2,5,7H2
InChIKeyIQCGNBSQMKCARK-UHFFFAOYSA-N
XLogP1.02
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

US10221162, Example 345.0
CID 122701920
1-(1H-Pyrrol-2-yl)ethan-1-ol
CID 13791373
2-(1'-Hydroxypropyl)pyrrole
CID 45092683
2-Azolyl-1-pyridylethan-1-ol
CID 129785692
(1R,2S)-1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide
CID 122701573
(1R,2R)-1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide
CID 122702252
(1S,2R)-1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide
CID 122702502
1-(5-Fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide
CID 122702765
2-Ethylsulfonyl-1-(5-fluoro-2-pyridinyl)ethanol
CID 132198249
2-fluoro-N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]cyclohexane-1-sulfonamide
CID 140917779
2-[2-fluoro-5-(1H-pyrrol-2-yl)cyclohexa-1,5-dien-1-yl]sulfonylethanol
CID 141054394
Tetrahydroxybutylpyrrole
CID 129681235

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothian-2-yl)-(1H-pyrrol-2-yl)methanol?
The IUPAC name of (1,1-dioxothian-2-yl)-(1H-pyrrol-2-yl)methanol (CID 104521192) is (1,1-dioxothian-2-yl)-(1H-pyrrol-2-yl)methanol.
What is the SMILES notation for (1,1-dioxothian-2-yl)-(1H-pyrrol-2-yl)methanol?
The canonical SMILES for (1,1-dioxothian-2-yl)-(1H-pyrrol-2-yl)methanol is O=S1(=O)CCCCC1C(O)c1ccc[nH]1.
What is the InChIKey of (1,1-dioxothian-2-yl)-(1H-pyrrol-2-yl)methanol?
The InChIKey is IQCGNBSQMKCARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c12-10(8-4-3-6-11-8)9-5-1-2-7-15(9,13)14/h3-4,6,9-12H,1-2,5,7H2.
What are the key properties of (1,1-dioxothian-2-yl)-(1H-pyrrol-2-yl)methanol?
(1,1-dioxothian-2-yl)-(1H-pyrrol-2-yl)methanol has a molecular weight of 229.30 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothian-2-yl)-(1H-pyrrol-2-yl)methanol is sourced from PubChem (CID 104521192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).