N-[2-[(1S,5S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]-2-oxoethyl]pyridine-3-sulfonamide

C17H21N5O4S — CID 146112877

IUPACN-[2-[(1S,5S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]-2-oxoethyl]pyridine-3-sulfonamide
SMILESCCc1nnc([C@]23CC[C@H]2CCN3C(=O)CNS(=O)(=O)c2cccnc2)o1
InChIInChI=1S/C17H21N5O4S/c1-2-14-20-21-16(26-14)17-7-5-12(17)6-9-22(17)15(23)11-19-27(24,25)13-4-3-8-18-10-13/h3-4,8,10,12,19H,2,5-7,9,11H2,1H3/t12-,17-/m0/s1
InChIKeyBIANCQDSKMVUSL-SJCJKPOMSA-N
MW391.45 g/mol
LogP0.84
Rot. Bonds6

About N-[2-[(1S,5S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]-2-oxoethyl]pyridine-3-sulfonamide

N-[2-[(1S,5S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]-2-oxoethyl]pyridine-3-sulfonamide (PubChem CID 146112877) has the molecular formula C17H21N5O4S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[2-[(1S,5S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]-2-oxoethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-[(1S,5S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]-2-oxoethyl]pyridine-3-sulfonamide
PubChem CID146112877
Molecular FormulaC17H21N5O4S
Molecular Weight391.45 g/mol
Exact Mass391.13
IUPAC NameN-[2-[(1S,5S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]-2-oxoethyl]pyridine-3-sulfonamide
SMILESCCc1nnc([C@]23CC[C@H]2CCN3C(=O)CNS(=O)(=O)c2cccnc2)o1
InChIInChI=1S/C17H21N5O4S/c1-2-14-20-21-16(26-14)17-7-5-12(17)6-9-22(17)15(23)11-19-27(24,25)13-4-3-8-18-10-13/h3-4,8,10,12,19H,2,5-7,9,11H2,1H3/t12-,17-/m0/s1
InChIKeyBIANCQDSKMVUSL-SJCJKPOMSA-N
XLogP0.84
TPSA118.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[(1S,5S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]-2-oxoethyl]pyridine-3-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S,5S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]-2-oxoethyl]pyridine-3-sulfonamide?
The IUPAC name of N-[2-[(1S,5S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]-2-oxoethyl]pyridine-3-sulfonamide (CID 146112877) is N-[2-[(1S,5S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]-2-oxoethyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[2-[(1S,5S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]-2-oxoethyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[2-[(1S,5S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]-2-oxoethyl]pyridine-3-sulfonamide is CCc1nnc([C@]23CC[C@H]2CCN3C(=O)CNS(=O)(=O)c2cccnc2)o1.
What is the InChIKey of N-[2-[(1S,5S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]-2-oxoethyl]pyridine-3-sulfonamide?
The InChIKey is BIANCQDSKMVUSL-SJCJKPOMSA-N. The full InChI is InChI=1S/C17H21N5O4S/c1-2-14-20-21-16(26-14)17-7-5-12(17)6-9-22(17)15(23)11-19-27(24,25)13-4-3-8-18-10-13/h3-4,8,10,12,19H,2,5-7,9,11H2,1H3/t12-,17-/m0/s1.
What are the key properties of N-[2-[(1S,5S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]-2-oxoethyl]pyridine-3-sulfonamide?
N-[2-[(1S,5S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]-2-oxoethyl]pyridine-3-sulfonamide has a molecular weight of 391.45 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S,5S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]-2-oxoethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 146112877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).