(1R,5R)-3-(benzenesulfonyl)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octane

C16H21NO4S2 — CID 98193012

IUPAC(1R,5R)-3-(benzenesulfonyl)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octane
SMILESO=S(=O)(c1ccccc1)C1C[C@H]2CC[C@H](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/t12-,13-/m1/s1
InChIKeyGDUQLZHRFTVRBH-CHWSQXEVSA-N
MW355.48 g/mol
LogP1.95
Rot. Bonds4

About (1R,5R)-3-(benzenesulfonyl)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octane

(1R,5R)-3-(benzenesulfonyl)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octane (PubChem CID 98193012) has the molecular formula C16H21NO4S2 and a molecular weight of 355.48 g/mol. Its IUPAC name is (1R,5R)-3-(benzenesulfonyl)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5R)-3-(benzenesulfonyl)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octane
PubChem CID98193012
Molecular FormulaC16H21NO4S2
Molecular Weight355.48 g/mol
Exact Mass355.09
IUPAC Name(1R,5R)-3-(benzenesulfonyl)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octane
SMILESO=S(=O)(c1ccccc1)C1C[C@H]2CC[C@H](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/t12-,13-/m1/s1
InChIKeyGDUQLZHRFTVRBH-CHWSQXEVSA-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

Analyze (1R,5R)-3-(benzenesulfonyl)-8-cyclopropylsulfonyl-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

(1S,5R)-3-(benzenesulfonyl)-8-methylsulfonyl-8-azabicyclo[3.2.1]octane
CID 97417329
3-(benzenesulfonyl)-8-(4-chlorophenyl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 90591648
1-[3-[[(1R,5S)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]phenyl]ethanone
CID 97415165
3-(benzenesulfonyl)-8-(5-chlorothiophen-2-yl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 90591603
3-(benzenesulfonyl)-8-(2,5-difluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 90591601
3-(benzenesulfonyl)-8-[4-(3,4-dichlorophenyl)phenyl]sulfonyl-8-azabicyclo[3.2.1]octane
CID 121140192
methyl 4-[[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]benzoate
CID 71808995
(1R,5S)-3-(benzenesulfonyl)-8-(5-ethylthiophen-2-yl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 97415162
(1R,5S)-3-(benzenesulfonyl)-8-(5-chloro-2-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 97415167
[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-fluorophenyl)methanone
CID 90591304
(E)-1-[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]but-2-en-1-one
CID 90591450
[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(furan-3-yl)methanone
CID 71808979

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-3-(benzenesulfonyl)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5R)-3-(benzenesulfonyl)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octane (CID 98193012) is (1R,5R)-3-(benzenesulfonyl)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5R)-3-(benzenesulfonyl)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5R)-3-(benzenesulfonyl)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octane is O=S(=O)(c1ccccc1)C1C[C@H]2CC[C@H](C1)N2S(=O)(=O)C1CC1.
What is the InChIKey of (1R,5R)-3-(benzenesulfonyl)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octane?
The InChIKey is GDUQLZHRFTVRBH-CHWSQXEVSA-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/t12-,13-/m1/s1.
What are the key properties of (1R,5R)-3-(benzenesulfonyl)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octane?
(1R,5R)-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 (1R,5R)-3-(benzenesulfonyl)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 98193012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).