N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanesulfonamide

C11H20N2O4S2 — CID 99987789

IUPACN-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanesulfonamide
SMILESCS(=O)(=O)N1[C@H]2CC[C@H]1CC(NS(=O)(=O)C1CC1)C2
InChIInChI=1S/C11H20N2O4S2/c1-18(14,15)13-9-2-3-10(13)7-8(6-9)12-19(16,17)11-4-5-11/h8-12H,2-7H2,1H3/t9-,10-/m0/s1
InChIKeyMZNIYTYVSKZGGP-UWVGGRQHSA-N
MW308.43 g/mol
LogP0.02
Rot. Bonds4

About N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanesulfonamide

N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanesulfonamide (PubChem CID 99987789) has the molecular formula C11H20N2O4S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanesulfonamide
PubChem CID99987789
Molecular FormulaC11H20N2O4S2
Molecular Weight308.43 g/mol
Exact Mass308.09
IUPAC NameN-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanesulfonamide
SMILESCS(=O)(=O)N1[C@H]2CC[C@H]1CC(NS(=O)(=O)C1CC1)C2
InChIInChI=1S/C11H20N2O4S2/c1-18(14,15)13-9-2-3-10(13)7-8(6-9)12-19(16,17)11-4-5-11/h8-12H,2-7H2,1H3/t9-,10-/m0/s1
InChIKeyMZNIYTYVSKZGGP-UWVGGRQHSA-N
XLogP0.02
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanesulfonamide with MolForge

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Related Compounds

8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 63764039
(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 66778131
3-tert-butyl-8-methylsulfonyl-8-azabicyclo[3.2.1]octane
CID 164835658
(1R,5S)-8-methylsulfonyl-3-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 58395041
N-(3-amino-4-ethylcyclopentyl)cyclopropanesulfonamide
CID 76828844
N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-2-thiophen-2-ylacetamide
CID 100715401
N-(3-aminocyclobutyl)oxane-4-sulfonamide
CID 62050137
N-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclopropanesulfonamide
CID 165443916
(1S,5R)-3-(benzenesulfonyl)-8-methylsulfonyl-8-azabicyclo[3.2.1]octane
CID 97417329
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidine-3-sulfonamide
CID 65471678
N-(1-ethylpyrazol-4-yl)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-amine
CID 136561367
N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-phenylpropanamide
CID 99987386

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanesulfonamide?
The IUPAC name of N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanesulfonamide (CID 99987789) is N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanesulfonamide is CS(=O)(=O)N1[C@H]2CC[C@H]1CC(NS(=O)(=O)C1CC1)C2.
What is the InChIKey of N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanesulfonamide?
The InChIKey is MZNIYTYVSKZGGP-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H20N2O4S2/c1-18(14,15)13-9-2-3-10(13)7-8(6-9)12-19(16,17)11-4-5-11/h8-12H,2-7H2,1H3/t9-,10-/m0/s1.
What are the key properties of N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanesulfonamide?
N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanesulfonamide has a molecular weight of 308.43 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]cyclopropanesulfonamide is sourced from PubChem (CID 99987789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).