(1S,5R)-3-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane

C10H19NO2S — CID 97301302

IUPAC(1S,5R)-3-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane
SMILESCC(C)S(=O)(=O)C1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C10H19NO2S/c1-7(2)14(12,13)10-5-8-3-4-9(6-10)11-8/h7-11H,3-6H2,1-2H3/t8-,9+,10?
InChIKeyDTRGXBDMVQNFSY-ULKQDVFKSA-N
MW217.33 g/mol
LogP1.09
Rot. Bonds2

About (1S,5R)-3-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane

(1S,5R)-3-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane (PubChem CID 97301302) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is (1S,5R)-3-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-3-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane
PubChem CID97301302
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name(1S,5R)-3-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane
SMILESCC(C)S(=O)(=O)C1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C10H19NO2S/c1-7(2)14(12,13)10-5-8-3-4-9(6-10)11-8/h7-11H,3-6H2,1-2H3/t8-,9+,10?
InChIKeyDTRGXBDMVQNFSY-ULKQDVFKSA-N
XLogP1.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,5R)-3-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]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

N-cyclohexyltetrahydrothiophen-3-amine 1,1-dioxide
CID 3152340
2-(2-Methanesulfonylethyl)piperidine hydrochloride
CID 72716379
2-(2-(Methylsulfonyl)ethyl)piperidine
CID 53485993
8-Azabicyclo[3.2.1]octane-3-sulfinate
CID 67373054
3-[(Piperidin-4-yl)amino]-1lambda6-thiolane-1,1-dione
CID 43511755
N-[(1,1-dioxothiolan-2-yl)methyl]thian-4-amine
CID 81039391
3-Piperidin-1-ium-1-ylthiolane 1,1-dioxide chloride
CID 2896399
2-(4-Ethylsulfonyl-1-fluorobutyl)piperidine
CID 106634950
2-(1-Fluoro-3-methylsulfonylpropyl)pyrrolidine
CID 106640234
2-(4-Ethylsulfonyl-1-fluorobutyl)pyrrolidine
CID 106640372
3-Fluoro-3-(2-propylsulfonylethyl)-8-azabicyclo[3.2.1]octane
CID 106735919
3-(2-Tert-butylsulfonylethyl)-3-fluoro-8-azabicyclo[3.2.1]octane
CID 106735920

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-3-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane (CID 97301302) is (1S,5R)-3-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-3-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-3-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane is CC(C)S(=O)(=O)C1C[C@H]2CC[C@@H](C1)N2.
What is the InChIKey of (1S,5R)-3-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane?
The InChIKey is DTRGXBDMVQNFSY-ULKQDVFKSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-7(2)14(12,13)10-5-8-3-4-9(6-10)11-8/h7-11H,3-6H2,1-2H3/t8-,9+,10?.
What are the key properties of (1S,5R)-3-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane?
(1S,5R)-3-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane has a molecular weight of 217.33 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 97301302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).