(1R,2R,5S)-N-(1-methylimidazol-4-yl)sulfonyl-8-oxabicyclo[3.2.1]octane-2-carboxamide

C12H17N3O4S — CID 166274828

IUPAC(1R,2R,5S)-N-(1-methylimidazol-4-yl)sulfonyl-8-oxabicyclo[3.2.1]octane-2-carboxamide
SMILESCn1cnc(S(=O)(=O)NC(=O)[C@@H]2CC[C@H]3CC[C@H]2O3)c1
InChIInChI=1S/C12H17N3O4S/c1-15-6-11(13-7-15)20(17,18)14-12(16)9-4-2-8-3-5-10(9)19-8/h6-10H,2-5H2,1H3,(H,14,16)/t8-,9+,10+/m0/s1
InChIKeyUYDKAIRFNPGKAD-IVZWLZJFSA-N
MW299.35 g/mol
LogP0.18
Rot. Bonds3

About (1R,2R,5S)-N-(1-methylimidazol-4-yl)sulfonyl-8-oxabicyclo[3.2.1]octane-2-carboxamide

(1R,2R,5S)-N-(1-methylimidazol-4-yl)sulfonyl-8-oxabicyclo[3.2.1]octane-2-carboxamide (PubChem CID 166274828) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is (1R,2R,5S)-N-(1-methylimidazol-4-yl)sulfonyl-8-oxabicyclo[3.2.1]octane-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,5S)-N-(1-methylimidazol-4-yl)sulfonyl-8-oxabicyclo[3.2.1]octane-2-carboxamide
PubChem CID166274828
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name(1R,2R,5S)-N-(1-methylimidazol-4-yl)sulfonyl-8-oxabicyclo[3.2.1]octane-2-carboxamide
SMILESCn1cnc(S(=O)(=O)NC(=O)[C@@H]2CC[C@H]3CC[C@H]2O3)c1
InChIInChI=1S/C12H17N3O4S/c1-15-6-11(13-7-15)20(17,18)14-12(16)9-4-2-8-3-5-10(9)19-8/h6-10H,2-5H2,1H3,(H,14,16)/t8-,9+,10+/m0/s1
InChIKeyUYDKAIRFNPGKAD-IVZWLZJFSA-N
XLogP0.18
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R,2R,5S)-N-(1-methylimidazol-4-yl)sulfonyl-8-oxabicyclo[3.2.1]octane-2-carboxamide 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

2-{9-[(1-Methyl-1H-imidazol-4-YL)sulfonyl]-1-oxa-9-azaspiro[5.5]undecan-4-YL}-1-(pyrrolidin-1-YL)ethan-1-one
CID 91908879
N,N-dimethyl-2-[9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 91919414
(3R,4aR,8aS)-N-methyl-6-(1-methylimidazol-4-yl)sulfonyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
CID 97366419
(3S,4aS,8aR)-N-methyl-6-(1-methylimidazol-4-yl)sulfonyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
CID 124809038
(3aS,6aS)-N-(1-methylimidazol-4-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-carboxamide
CID 166288212

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S)-N-(1-methylimidazol-4-yl)sulfonyl-8-oxabicyclo[3.2.1]octane-2-carboxamide?
The IUPAC name of (1R,2R,5S)-N-(1-methylimidazol-4-yl)sulfonyl-8-oxabicyclo[3.2.1]octane-2-carboxamide (CID 166274828) is (1R,2R,5S)-N-(1-methylimidazol-4-yl)sulfonyl-8-oxabicyclo[3.2.1]octane-2-carboxamide.
What is the SMILES notation for (1R,2R,5S)-N-(1-methylimidazol-4-yl)sulfonyl-8-oxabicyclo[3.2.1]octane-2-carboxamide?
The canonical SMILES for (1R,2R,5S)-N-(1-methylimidazol-4-yl)sulfonyl-8-oxabicyclo[3.2.1]octane-2-carboxamide is Cn1cnc(S(=O)(=O)NC(=O)[C@@H]2CC[C@H]3CC[C@H]2O3)c1.
What is the InChIKey of (1R,2R,5S)-N-(1-methylimidazol-4-yl)sulfonyl-8-oxabicyclo[3.2.1]octane-2-carboxamide?
The InChIKey is UYDKAIRFNPGKAD-IVZWLZJFSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-15-6-11(13-7-15)20(17,18)14-12(16)9-4-2-8-3-5-10(9)19-8/h6-10H,2-5H2,1H3,(H,14,16)/t8-,9+,10+/m0/s1.
What are the key properties of (1R,2R,5S)-N-(1-methylimidazol-4-yl)sulfonyl-8-oxabicyclo[3.2.1]octane-2-carboxamide?
(1R,2R,5S)-N-(1-methylimidazol-4-yl)sulfonyl-8-oxabicyclo[3.2.1]octane-2-carboxamide has a molecular weight of 299.35 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S)-N-(1-methylimidazol-4-yl)sulfonyl-8-oxabicyclo[3.2.1]octane-2-carboxamide is sourced from PubChem (CID 166274828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).