N-(3-azabicyclo[3.1.0]hexan-6-yl)-2,5-dimethylthiophene-3-sulfonamide

C11H16N2O2S2 — CID 43597332

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2C3CNCC32)c(C)s1
InChIInChI=1S/C11H16N2O2S2/c1-6-3-10(7(2)16-6)17(14,15)13-11-8-4-12-5-9(8)11/h3,8-9,11-13H,4-5H2,1-2H3
InChIKeyGQBFSSNUZMJSBL-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.86
Rot. Bonds3

About N-(3-azabicyclo[3.1.0]hexan-6-yl)-2,5-dimethylthiophene-3-sulfonamide

N-(3-azabicyclo[3.1.0]hexan-6-yl)-2,5-dimethylthiophene-3-sulfonamide (PubChem CID 43597332) has the molecular formula C11H16N2O2S2 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)-2,5-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-2,5-dimethylthiophene-3-sulfonamide
PubChem CID43597332
Molecular FormulaC11H16N2O2S2
Molecular Weight272.39 g/mol
Exact Mass272.07
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2C3CNCC32)c(C)s1
InChIInChI=1S/C11H16N2O2S2/c1-6-3-10(7(2)16-6)17(14,15)13-11-8-4-12-5-9(8)11/h3,8-9,11-13H,4-5H2,1-2H3
InChIKeyGQBFSSNUZMJSBL-UHFFFAOYSA-N
XLogP0.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2,5-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2,5-dimethylthiophene-3-sulfonamide (CID 43597332) is N-(3-azabicyclo[3.1.0]hexan-6-yl)-2,5-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)-2,5-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)-2,5-dimethylthiophene-3-sulfonamide is Cc1cc(S(=O)(=O)NC2C3CNCC32)c(C)s1.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2,5-dimethylthiophene-3-sulfonamide?
The InChIKey is GQBFSSNUZMJSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S2/c1-6-3-10(7(2)16-6)17(14,15)13-11-8-4-12-5-9(8)11/h3,8-9,11-13H,4-5H2,1-2H3.
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2,5-dimethylthiophene-3-sulfonamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2,5-dimethylthiophene-3-sulfonamide has a molecular weight of 272.39 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-yl)-2,5-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 43597332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).