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

C11H21NO2S — CID 122663026

IUPAC(1R,5S)-3-methyl-8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane
SMILESCC1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)C(C)C
InChIInChI=1S/C11H21NO2S/c1-8(2)15(13,14)12-10-4-5-11(12)7-9(3)6-10/h8-11H,4-7H2,1-3H3/t9?,10-,11+
InChIKeyUPUJGTMIZVEFBJ-FGWVZKOKSA-N
MW231.36 g/mol
LogP1.99
Rot. Bonds2

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

(1R,5S)-3-methyl-8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane (PubChem CID 122663026) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is (1R,5S)-3-methyl-8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-3-methyl-8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane
PubChem CID122663026
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name(1R,5S)-3-methyl-8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane
SMILESCC1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)C(C)C
InChIInChI=1S/C11H21NO2S/c1-8(2)15(13,14)12-10-4-5-11(12)7-9(3)6-10/h8-11H,4-7H2,1-3H3/t9?,10-,11+
InChIKeyUPUJGTMIZVEFBJ-FGWVZKOKSA-N
XLogP1.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-methyl-8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-3-methyl-8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane (CID 122663026) is (1R,5S)-3-methyl-8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-3-methyl-8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-3-methyl-8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane is CC1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)C(C)C.
What is the InChIKey of (1R,5S)-3-methyl-8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane?
The InChIKey is UPUJGTMIZVEFBJ-FGWVZKOKSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-8(2)15(13,14)12-10-4-5-11(12)7-9(3)6-10/h8-11H,4-7H2,1-3H3/t9?,10-,11+.
What are the key properties of (1R,5S)-3-methyl-8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane?
(1R,5S)-3-methyl-8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane has a molecular weight of 231.36 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-methyl-8-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 122663026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).