[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-3-yl]methanol

C11H15NO4S2 — CID 66371137

IUPAC[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-3-yl]methanol
SMILESO=S(=O)(c1cc(CO)cs1)N1CC2CCC(C1)O2
InChIInChI=1S/C11H15NO4S2/c13-6-8-3-11(17-7-8)18(14,15)12-4-9-1-2-10(5-12)16-9/h3,7,9-10,13H,1-2,4-6H2
InChIKeyZEZTZDKBHAGWIH-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.79
Rot. Bonds3

About [5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-3-yl]methanol

[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-3-yl]methanol (PubChem CID 66371137) has the molecular formula C11H15NO4S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is [5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-3-yl]methanol.

Molecular Properties

Compound Name[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-3-yl]methanol
PubChem CID66371137
Molecular FormulaC11H15NO4S2
Molecular Weight289.38 g/mol
Exact Mass289.04
IUPAC Name[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-3-yl]methanol
SMILESO=S(=O)(c1cc(CO)cs1)N1CC2CCC(C1)O2
InChIInChI=1S/C11H15NO4S2/c13-6-8-3-11(17-7-8)18(14,15)12-4-9-1-2-10(5-12)16-9/h3,7,9-10,13H,1-2,4-6H2
InChIKeyZEZTZDKBHAGWIH-UHFFFAOYSA-N
XLogP0.79
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-3-yl]methanamine
CID 66372279
[3-bromo-4-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]methanol
CID 81480778
[5-bromo-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)furan-2-yl]methanol
CID 66371324
3-[4-(chloromethyl)thiophen-2-yl]sulfonyl-3-azabicyclo[3.3.1]nonane
CID 114196910
N-[[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylthiophen-3-yl]methyl]propan-2-amine
CID 104961556
1-[5-(3,4-dimethoxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-N-methylmethanamine
CID 103541564
N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-2-yl]methyl]cyclopropanamine
CID 66371890
5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophene-2-carbonitrile
CID 114166299
3-[4-(chloromethyl)phenyl]sulfonyl-8-oxa-3-azabicyclo[3.2.1]octane
CID 66371637
N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-2-yl]methyl]propan-1-amine
CID 66372289
N-methyl-1-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-2-yl]methanamine
CID 66371904
N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-2-yl]methyl]propan-2-amine
CID 66371891

Frequently Asked Questions

What is the IUPAC name of [5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-3-yl]methanol?
The IUPAC name of [5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-3-yl]methanol (CID 66371137) is [5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-3-yl]methanol.
What is the SMILES notation for [5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-3-yl]methanol?
The canonical SMILES for [5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-3-yl]methanol is O=S(=O)(c1cc(CO)cs1)N1CC2CCC(C1)O2.
What is the InChIKey of [5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-3-yl]methanol?
The InChIKey is ZEZTZDKBHAGWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S2/c13-6-8-3-11(17-7-8)18(14,15)12-4-9-1-2-10(5-12)16-9/h3,7,9-10,13H,1-2,4-6H2.
What are the key properties of [5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-3-yl]methanol?
[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-3-yl]methanol has a molecular weight of 289.38 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-3-yl]methanol is sourced from PubChem (CID 66371137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).