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

C11H16N2O3S2 — CID 66372279

IUPAC[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-3-yl]methanamine
SMILESNCc1csc(S(=O)(=O)N2CC3CCC(C2)O3)c1
InChIInChI=1S/C11H16N2O3S2/c12-4-8-3-11(17-7-8)18(14,15)13-5-9-1-2-10(6-13)16-9/h3,7,9-10H,1-2,4-6,12H2
InChIKeyKJIHOZRTZREAPQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.76
Rot. Bonds3

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

[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-3-yl]methanamine (PubChem CID 66372279) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is [5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-3-yl]methanamine.

Molecular Properties

Compound Name[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-3-yl]methanamine
PubChem CID66372279
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC Name[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-3-yl]methanamine
SMILESNCc1csc(S(=O)(=O)N2CC3CCC(C2)O3)c1
InChIInChI=1S/C11H16N2O3S2/c12-4-8-3-11(17-7-8)18(14,15)13-5-9-1-2-10(6-13)16-9/h3,7,9-10H,1-2,4-6,12H2
InChIKeyKJIHOZRTZREAPQ-UHFFFAOYSA-N
XLogP0.76
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-3-yl]methanamine with MolForge

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Related Compounds

[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-3-yl]methanol
CID 66371137
[4-ethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)phenyl]methanamine
CID 66372288
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-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyrrol-2-yl]methanamine
CID 66371898
4-(aminomethyl)-N-(thian-4-yl)thiophene-2-sulfonamide
CID 106084527
N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-2-yl]methyl]cyclopropanamine
CID 66371890
1-[5-(3,4-dimethoxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-N-methylmethanamine
CID 103541564
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-[[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]methanamine?
The IUPAC name of [5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-3-yl]methanamine (CID 66372279) is [5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-3-yl]methanamine.
What is the SMILES notation for [5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-3-yl]methanamine?
The canonical SMILES for [5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-3-yl]methanamine is NCc1csc(S(=O)(=O)N2CC3CCC(C2)O3)c1.
What is the InChIKey of [5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-3-yl]methanamine?
The InChIKey is KJIHOZRTZREAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c12-4-8-3-11(17-7-8)18(14,15)13-5-9-1-2-10(6-13)16-9/h3,7,9-10H,1-2,4-6,12H2.
What are the key properties of [5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-3-yl]methanamine?
[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-3-yl]methanamine has a molecular weight of 288.39 g/mol, XLogP of 0.76, 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]methanamine is sourced from PubChem (CID 66372279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).