(1R,7R)-3-methylsulfonyl-8-oxa-3-azabicyclo[5.1.0]octane

C7H13NO3S — CID 98168048

IUPAC(1R,7R)-3-methylsulfonyl-8-oxa-3-azabicyclo[5.1.0]octane
SMILESCS(=O)(=O)N1CCC[C@H]2O[C@@H]2C1
InChIInChI=1S/C7H13NO3S/c1-12(9,10)8-4-2-3-6-7(5-8)11-6/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyWMRFIYQQORWQAJ-RNFRBKRXSA-N
MW191.25 g/mol
LogP-0.19
Rot. Bonds1

About (1R,7R)-3-methylsulfonyl-8-oxa-3-azabicyclo[5.1.0]octane

(1R,7R)-3-methylsulfonyl-8-oxa-3-azabicyclo[5.1.0]octane (PubChem CID 98168048) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is (1R,7R)-3-methylsulfonyl-8-oxa-3-azabicyclo[5.1.0]octane.

Molecular Properties

Compound Name(1R,7R)-3-methylsulfonyl-8-oxa-3-azabicyclo[5.1.0]octane
PubChem CID98168048
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name(1R,7R)-3-methylsulfonyl-8-oxa-3-azabicyclo[5.1.0]octane
SMILESCS(=O)(=O)N1CCC[C@H]2O[C@@H]2C1
InChIInChI=1S/C7H13NO3S/c1-12(9,10)8-4-2-3-6-7(5-8)11-6/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyWMRFIYQQORWQAJ-RNFRBKRXSA-N
XLogP-0.19
TPSA49.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1R,7R)-3-methylsulfonyl-8-oxa-3-azabicyclo[5.1.0]octane with MolForge

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

Launch Full Analysis

Related Compounds

(1R,7R)-3-(bromomethylsulfonyl)-8-oxa-3-azabicyclo[5.1.0]octane
CID 98168050
3-(bromomethylsulfonyl)-8-oxa-3-azabicyclo[5.1.0]octane
CID 117071009
(3S)-1-methylsulfonylpiperidin-3-ol
CID 51698302
1-methylsulfonyl-3-(trifluoromethyl)piperidine
CID 3646972
1-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 59841135
(3R)-1-methylsulfonylpiperidine-3-carboxamide
CID 92512001
1-methylsulfonyl-3-prop-1-en-2-ylpiperidine
CID 145118494
3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
CID 59148098
2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)morpholine-4-sulfonamide
CID 47958261
1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79609568
azepan-1-yl-(1-methylsulfonylpiperidin-3-yl)methanone
CID 45153724
4-amino-1-methylsulfonylazepane-3-carbaldehyde
CID 174429979

Frequently Asked Questions

What is the IUPAC name of (1R,7R)-3-methylsulfonyl-8-oxa-3-azabicyclo[5.1.0]octane?
The IUPAC name of (1R,7R)-3-methylsulfonyl-8-oxa-3-azabicyclo[5.1.0]octane (CID 98168048) is (1R,7R)-3-methylsulfonyl-8-oxa-3-azabicyclo[5.1.0]octane.
What is the SMILES notation for (1R,7R)-3-methylsulfonyl-8-oxa-3-azabicyclo[5.1.0]octane?
The canonical SMILES for (1R,7R)-3-methylsulfonyl-8-oxa-3-azabicyclo[5.1.0]octane is CS(=O)(=O)N1CCC[C@H]2O[C@@H]2C1.
What is the InChIKey of (1R,7R)-3-methylsulfonyl-8-oxa-3-azabicyclo[5.1.0]octane?
The InChIKey is WMRFIYQQORWQAJ-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H13NO3S/c1-12(9,10)8-4-2-3-6-7(5-8)11-6/h6-7H,2-5H2,1H3/t6-,7-/m1/s1.
What are the key properties of (1R,7R)-3-methylsulfonyl-8-oxa-3-azabicyclo[5.1.0]octane?
(1R,7R)-3-methylsulfonyl-8-oxa-3-azabicyclo[5.1.0]octane has a molecular weight of 191.25 g/mol, XLogP of -0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7R)-3-methylsulfonyl-8-oxa-3-azabicyclo[5.1.0]octane is sourced from PubChem (CID 98168048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).