N-(8-azabicyclo[3.2.1]octan-3-yl)-5-cyano-N-methylthiophene-2-sulfonamide

C13H17N3O2S2 — CID 106272763

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-5-cyano-N-methylthiophene-2-sulfonamide
SMILESCN(C1CC2CCC(C1)N2)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C13H17N3O2S2/c1-16(11-6-9-2-3-10(7-11)15-9)20(17,18)13-5-4-12(8-14)19-13/h4-5,9-11,15H,2-3,6-7H2,1H3
InChIKeyRXRUPORHZAXUDX-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.52
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-5-cyano-N-methylthiophene-2-sulfonamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-5-cyano-N-methylthiophene-2-sulfonamide (PubChem CID 106272763) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-cyano-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-cyano-N-methylthiophene-2-sulfonamide
PubChem CID106272763
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-cyano-N-methylthiophene-2-sulfonamide
SMILESCN(C1CC2CCC(C1)N2)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C13H17N3O2S2/c1-16(11-6-9-2-3-10(7-11)15-9)20(17,18)13-5-4-12(8-14)19-13/h4-5,9-11,15H,2-3,6-7H2,1H3
InChIKeyRXRUPORHZAXUDX-UHFFFAOYSA-N
XLogP1.52
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 114166157
5-cyano-N-(1-ethylpiperidin-4-yl)-N-methylthiophene-2-sulfonamide
CID 106267859
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-N,4-dimethylthiophene-2-sulfonamide
CID 79989370
5-cyano-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
CID 106272948
5-cyano-N-ethyl-N-methylthiophene-2-sulfonamide
CID 106267270
5-cyano-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-sulfonamide
CID 106268641
5-cyano-N-methyl-N-(4-methylphenyl)thiophene-2-sulfonamide
CID 106268008
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpyridine-3-sulfonamide
CID 61232982
2-[(5-cyanothiophen-2-yl)sulfonyl-cyclopentylamino]acetic acid
CID 106265415
5-cyano-N-ethyl-N-(piperidin-2-ylmethyl)thiophene-2-sulfonamide
CID 106273103
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-N-propylthiophene-2-sulfonamide
CID 61230956
N-(8-azabicyclo[3.2.1]octan-3-yl)-N,2,5-trimethylbenzenesulfonamide
CID 61231449

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-cyano-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-cyano-N-methylthiophene-2-sulfonamide (CID 106272763) is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-cyano-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-cyano-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-cyano-N-methylthiophene-2-sulfonamide is CN(C1CC2CCC(C1)N2)S(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-cyano-N-methylthiophene-2-sulfonamide?
The InChIKey is RXRUPORHZAXUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-16(11-6-9-2-3-10(7-11)15-9)20(17,18)13-5-4-12(8-14)19-13/h4-5,9-11,15H,2-3,6-7H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-cyano-N-methylthiophene-2-sulfonamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-cyano-N-methylthiophene-2-sulfonamide has a molecular weight of 311.43 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-cyano-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 106272763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).