3-(benzenesulfonyl)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octane

C16H21NO4S2 — CID 71808984

IUPAC3-(benzenesulfonyl)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octane
SMILESO=S(=O)(c1ccccc1)C1CC2CCC(C1)N2S(=O)(=O)C1CC1
InChIInChI=1S/C16H21NO4S2/c18-22(19,14-4-2-1-3-5-14)16-10-12-6-7-13(11-16)17(12)23(20,21)15-8-9-15/h1-5,12-13,15-16H,6-11H2
InChIKeyGDUQLZHRFTVRBH-UHFFFAOYSA-N
MW355.48 g/mol
LogP1.95
Rot. Bonds4

About 3-(benzenesulfonyl)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octane

3-(benzenesulfonyl)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octane (PubChem CID 71808984) has the molecular formula C16H21NO4S2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(benzenesulfonyl)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octane
PubChem CID71808984
Molecular FormulaC16H21NO4S2
Molecular Weight355.48 g/mol
Exact Mass355.09
IUPAC Name3-(benzenesulfonyl)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octane
SMILESO=S(=O)(c1ccccc1)C1CC2CCC(C1)N2S(=O)(=O)C1CC1
InChIInChI=1S/C16H21NO4S2/c18-22(19,14-4-2-1-3-5-14)16-10-12-6-7-13(11-16)17(12)23(20,21)15-8-9-15/h1-5,12-13,15-16H,6-11H2
InChIKeyGDUQLZHRFTVRBH-UHFFFAOYSA-N
XLogP1.95
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Methylsulfonyl)-2-((phenylsulfonyl)methyl)pyrrolidine
CID 71805892
1-(Cyclopropylsulfonyl)-2-((phenylsulfonyl)methyl)pyrrolidine
CID 71805893
(S)-1-(cyclohexylsulfonyl)-3-(phenylsulfonyl)pyrrolidine
CID 97354918
1-(2-Benzenesulfonyl-1-methyl-ethyl)-piperidine
CID 574429
(3S,4R)-N-cyclohexyl-4-(phenylsulfonyl)tetrahydrothiophen-3-amine 1,1-dioxide
CID 20897732
(E)-2-((phenylsulfonyl)methyl)-1-(styrylsulfonyl)pyrrolidine
CID 71805898
(1R,5S)-8-((5-ethylthiophen-2-yl)sulfonyl)-3-(phenylsulfonyl)-8-azabicyclo[3.2.1]octane
CID 71808987
(1R,5S)-N,N-dimethyl-3-(phenylsulfonyl)-8-azabicyclo[3.2.1]octane-8-sulfonamide
CID 71808997
(1R,5S)-3-(methylthio)-8-(phenylsulfonyl)-8-azabicyclo[3.2.1]octane
CID 76148599
3-[Butyl(phenylsulfonyl)amino]-1-hydroxythiolan-1-one
CID 2905982
(3R4S)-3-(4-Fluorobenzenesulfonyl)-4-(piperidin-1-YL)-1lambda6-thiolane-11-dione
CID 20897863
(3S,4R)-N-cycloheptyl-4-[(4-fluorophenyl)sulfonyl]tetrahydrothiophen-3-amine 1,1-dioxide
CID 20897912

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(benzenesulfonyl)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octane (CID 71808984) is 3-(benzenesulfonyl)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(benzenesulfonyl)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(benzenesulfonyl)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octane is O=S(=O)(c1ccccc1)C1CC2CCC(C1)N2S(=O)(=O)C1CC1.
What is the InChIKey of 3-(benzenesulfonyl)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octane?
The InChIKey is GDUQLZHRFTVRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4S2/c18-22(19,14-4-2-1-3-5-14)16-10-12-6-7-13(11-16)17(12)23(20,21)15-8-9-15/h1-5,12-13,15-16H,6-11H2.
What are the key properties of 3-(benzenesulfonyl)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octane?
3-(benzenesulfonyl)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octane has a molecular weight of 355.48 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 71808984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).