7-methoxy-2-thiophen-2-ylsulfonyl-2-azabicyclo[2.2.1]heptane

C11H15NO3S2 — CID 131642440

IUPAC7-methoxy-2-thiophen-2-ylsulfonyl-2-azabicyclo[2.2.1]heptane
SMILESCOC1C2CCC1N(S(=O)(=O)c1cccs1)C2
InChIInChI=1S/C11H15NO3S2/c1-15-11-8-4-5-9(11)12(7-8)17(13,14)10-3-2-6-16-10/h2-3,6,8-9,11H,4-5,7H2,1H3
InChIKeyYUTYSQJZAAPTBS-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.55
Rot. Bonds3

About 7-methoxy-2-thiophen-2-ylsulfonyl-2-azabicyclo[2.2.1]heptane

7-methoxy-2-thiophen-2-ylsulfonyl-2-azabicyclo[2.2.1]heptane (PubChem CID 131642440) has the molecular formula C11H15NO3S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 7-methoxy-2-thiophen-2-ylsulfonyl-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-methoxy-2-thiophen-2-ylsulfonyl-2-azabicyclo[2.2.1]heptane
PubChem CID131642440
Molecular FormulaC11H15NO3S2
Molecular Weight273.38 g/mol
Exact Mass273.05
IUPAC Name7-methoxy-2-thiophen-2-ylsulfonyl-2-azabicyclo[2.2.1]heptane
SMILESCOC1C2CCC1N(S(=O)(=O)c1cccs1)C2
InChIInChI=1S/C11H15NO3S2/c1-15-11-8-4-5-9(11)12(7-8)17(13,14)10-3-2-6-16-10/h2-3,6,8-9,11H,4-5,7H2,1H3
InChIKeyYUTYSQJZAAPTBS-UHFFFAOYSA-N
XLogP1.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,4S,7S)-7-prop-2-enoxy-2-thiophen-2-ylsulfonyl-2-azabicyclo[2.2.1]heptane
CID 124869526
2-methyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine
CID 42930811
1-thiophen-2-ylsulfonylpyrrolidin-3-amine
CID 62069517
(3aR,5S,7aR)-5-(prop-2-enoxymethyl)-1-thiophen-2-ylsulfonyl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 124869175
(4aS,6R,8aR)-6-methoxy-4-thiophen-2-ylsulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 124777933
(4aR,6R,8aS)-6-methoxy-4-thiophen-2-ylsulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 124604084
2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)cyclopentan-1-ol
CID 79543711
2,6-dimethyl-4-thiophen-2-ylsulfonylmorpholine
CID 2942574
2-[4-[(3R)-3-cyclopropyl-4-thiophen-2-ylsulfonylpiperazin-1-yl]phenyl]propan-2-ol
CID 70659308
4-ethyl-1-thiophen-2-ylsulfonylpiperidine
CID 129259597
(3S,6S)-1-thiophen-2-ylsulfonyl-6-(trifluoromethyl)piperidin-3-amine
CID 129433921
2-propan-2-yl-1-thiophen-2-ylsulfonylpyrrolidine
CID 110728294

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-thiophen-2-ylsulfonyl-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 7-methoxy-2-thiophen-2-ylsulfonyl-2-azabicyclo[2.2.1]heptane (CID 131642440) is 7-methoxy-2-thiophen-2-ylsulfonyl-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 7-methoxy-2-thiophen-2-ylsulfonyl-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 7-methoxy-2-thiophen-2-ylsulfonyl-2-azabicyclo[2.2.1]heptane is COC1C2CCC1N(S(=O)(=O)c1cccs1)C2.
What is the InChIKey of 7-methoxy-2-thiophen-2-ylsulfonyl-2-azabicyclo[2.2.1]heptane?
The InChIKey is YUTYSQJZAAPTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S2/c1-15-11-8-4-5-9(11)12(7-8)17(13,14)10-3-2-6-16-10/h2-3,6,8-9,11H,4-5,7H2,1H3.
What are the key properties of 7-methoxy-2-thiophen-2-ylsulfonyl-2-azabicyclo[2.2.1]heptane?
7-methoxy-2-thiophen-2-ylsulfonyl-2-azabicyclo[2.2.1]heptane has a molecular weight of 273.38 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-thiophen-2-ylsulfonyl-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 131642440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).