7-propan-2-yl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide

C10H19NO2S — CID 176597021

IUPAC7-propan-2-yl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide
SMILESCC(C)N1CC2CC(C1)CS(=O)(=O)C2
InChIInChI=1S/C10H19NO2S/c1-8(2)11-4-9-3-10(5-11)7-14(12,13)6-9/h8-10H,3-7H2,1-2H3
InChIKeyYSEZJUBSASVHTG-UHFFFAOYSA-N
MW217.33 g/mol
LogP0.76
Rot. Bonds1

About 7-propan-2-yl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide

7-propan-2-yl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide (PubChem CID 176597021) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 7-propan-2-yl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide.

Molecular Properties

Compound Name7-propan-2-yl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide
PubChem CID176597021
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name7-propan-2-yl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide
SMILESCC(C)N1CC2CC(C1)CS(=O)(=O)C2
InChIInChI=1S/C10H19NO2S/c1-8(2)11-4-9-3-10(5-11)7-14(12,13)6-9/h8-10H,3-7H2,1-2H3
InChIKeyYSEZJUBSASVHTG-UHFFFAOYSA-N
XLogP0.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-propan-2-yl-3-azabicyclo[4.3.1]decane
CID 121313326
8-propan-2-yl-3λ6-thia-8-azabicyclo[3.2.1]octane 3,3-dioxide
CID 146188761
3,4-dimethyl-1-propan-2-ylpyrrolidine
CID 20737893
(3S,5R)-3,5-difluoro-1-propan-2-ylpiperidine
CID 176851982
3-methylsulfinyl-1-propan-2-ylazetidine
CID 122414297
(3aR,6aS)-5-methyl-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 166871486
1-propan-2-ylazetidine-3-carbaldehyde
CID 22896263
5-methyl-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 129015187
3-(3-azabicyclo[3.3.1]nonan-3-yl)butan-2-one
CID 130479749
11-propan-2-yl-8-oxa-11-azabicyclo[4.3.3]dodecane
CID 167139033
3,5-dimethyl-1-propan-2-ylpiperidin-4-one
CID 59563444
(3aS,6aR)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 153474508

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide?
The IUPAC name of 7-propan-2-yl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide (CID 176597021) is 7-propan-2-yl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide.
What is the SMILES notation for 7-propan-2-yl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide?
The canonical SMILES for 7-propan-2-yl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide is CC(C)N1CC2CC(C1)CS(=O)(=O)C2.
What is the InChIKey of 7-propan-2-yl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide?
The InChIKey is YSEZJUBSASVHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-8(2)11-4-9-3-10(5-11)7-14(12,13)6-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 7-propan-2-yl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide?
7-propan-2-yl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide has a molecular weight of 217.33 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide is sourced from PubChem (CID 176597021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).