[(4aR,6S,7aS)-6-[dimethylsulfamoyl(methyl)amino]-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone

C15H25N5O4S — CID 169417252

IUPAC[(4aR,6S,7aS)-6-[dimethylsulfamoyl(methyl)amino]-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
SMILESCc1nnc(C(=O)N2CC[C@@H]3C[C@H](N(C)S(=O)(=O)N(C)C)C[C@@H]3C2)o1
InChIInChI=1S/C15H25N5O4S/c1-10-16-17-14(24-10)15(21)20-6-5-11-7-13(8-12(11)9-20)19(4)25(22,23)18(2)3/h11-13H,5-9H2,1-4H3/t11-,12-,13+/m1/s1
InChIKeyNDLWRVVWTCKWPO-UPJWGTAASA-N
MW371.46 g/mol
LogP0.36
Rot. Bonds4

About [(4aR,6S,7aS)-6-[dimethylsulfamoyl(methyl)amino]-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone

[(4aR,6S,7aS)-6-[dimethylsulfamoyl(methyl)amino]-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone (PubChem CID 169417252) has the molecular formula C15H25N5O4S and a molecular weight of 371.46 g/mol. Its IUPAC name is [(4aR,6S,7aS)-6-[dimethylsulfamoyl(methyl)amino]-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone.

Molecular Properties

Compound Name[(4aR,6S,7aS)-6-[dimethylsulfamoyl(methyl)amino]-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
PubChem CID169417252
Molecular FormulaC15H25N5O4S
Molecular Weight371.46 g/mol
Exact Mass371.16
IUPAC Name[(4aR,6S,7aS)-6-[dimethylsulfamoyl(methyl)amino]-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
SMILESCc1nnc(C(=O)N2CC[C@@H]3C[C@H](N(C)S(=O)(=O)N(C)C)C[C@@H]3C2)o1
InChIInChI=1S/C15H25N5O4S/c1-10-16-17-14(24-10)15(21)20-6-5-11-7-13(8-12(11)9-20)19(4)25(22,23)18(2)3/h11-13H,5-9H2,1-4H3/t11-,12-,13+/m1/s1
InChIKeyNDLWRVVWTCKWPO-UPJWGTAASA-N
XLogP0.36
TPSA99.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(4aR,6S,7aS)-6-[dimethylsulfamoyl(methyl)amino]-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4aR,6S,7aS)-6-[dimethylsulfamoyl(methyl)amino]-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone?
The IUPAC name of [(4aR,6S,7aS)-6-[dimethylsulfamoyl(methyl)amino]-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone (CID 169417252) is [(4aR,6S,7aS)-6-[dimethylsulfamoyl(methyl)amino]-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone.
What is the SMILES notation for [(4aR,6S,7aS)-6-[dimethylsulfamoyl(methyl)amino]-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone?
The canonical SMILES for [(4aR,6S,7aS)-6-[dimethylsulfamoyl(methyl)amino]-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone is Cc1nnc(C(=O)N2CC[C@@H]3C[C@H](N(C)S(=O)(=O)N(C)C)C[C@@H]3C2)o1.
What is the InChIKey of [(4aR,6S,7aS)-6-[dimethylsulfamoyl(methyl)amino]-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone?
The InChIKey is NDLWRVVWTCKWPO-UPJWGTAASA-N. The full InChI is InChI=1S/C15H25N5O4S/c1-10-16-17-14(24-10)15(21)20-6-5-11-7-13(8-12(11)9-20)19(4)25(22,23)18(2)3/h11-13H,5-9H2,1-4H3/t11-,12-,13+/m1/s1.
What are the key properties of [(4aR,6S,7aS)-6-[dimethylsulfamoyl(methyl)amino]-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone?
[(4aR,6S,7aS)-6-[dimethylsulfamoyl(methyl)amino]-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone has a molecular weight of 371.46 g/mol, XLogP of 0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,6S,7aS)-6-[dimethylsulfamoyl(methyl)amino]-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone is sourced from PubChem (CID 169417252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).