N-(3-cyanooxolan-3-yl)-N,4,5-trimethylthiophene-2-sulfonamide

C12H16N2O3S2 — CID 86796631

IUPACN-(3-cyanooxolan-3-yl)-N,4,5-trimethylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C2(C#N)CCOC2)sc1C
InChIInChI=1S/C12H16N2O3S2/c1-9-6-11(18-10(9)2)19(15,16)14(3)12(7-13)4-5-17-8-12/h6H,4-5,8H2,1-3H3
InChIKeyZLYBZTTUWWZWIB-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.67
Rot. Bonds3

About N-(3-cyanooxolan-3-yl)-N,4,5-trimethylthiophene-2-sulfonamide

N-(3-cyanooxolan-3-yl)-N,4,5-trimethylthiophene-2-sulfonamide (PubChem CID 86796631) has the molecular formula C12H16N2O3S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is N-(3-cyanooxolan-3-yl)-N,4,5-trimethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-cyanooxolan-3-yl)-N,4,5-trimethylthiophene-2-sulfonamide
PubChem CID86796631
Molecular FormulaC12H16N2O3S2
Molecular Weight300.41 g/mol
Exact Mass300.06
IUPAC NameN-(3-cyanooxolan-3-yl)-N,4,5-trimethylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C2(C#N)CCOC2)sc1C
InChIInChI=1S/C12H16N2O3S2/c1-9-6-11(18-10(9)2)19(15,16)14(3)12(7-13)4-5-17-8-12/h6H,4-5,8H2,1-3H3
InChIKeyZLYBZTTUWWZWIB-UHFFFAOYSA-N
XLogP1.67
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanooxolan-3-yl)-N,4,5-trimethylthiophene-2-sulfonamide?
The IUPAC name of N-(3-cyanooxolan-3-yl)-N,4,5-trimethylthiophene-2-sulfonamide (CID 86796631) is N-(3-cyanooxolan-3-yl)-N,4,5-trimethylthiophene-2-sulfonamide.
What is the SMILES notation for N-(3-cyanooxolan-3-yl)-N,4,5-trimethylthiophene-2-sulfonamide?
The canonical SMILES for N-(3-cyanooxolan-3-yl)-N,4,5-trimethylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)N(C)C2(C#N)CCOC2)sc1C.
What is the InChIKey of N-(3-cyanooxolan-3-yl)-N,4,5-trimethylthiophene-2-sulfonamide?
The InChIKey is ZLYBZTTUWWZWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S2/c1-9-6-11(18-10(9)2)19(15,16)14(3)12(7-13)4-5-17-8-12/h6H,4-5,8H2,1-3H3.
What are the key properties of N-(3-cyanooxolan-3-yl)-N,4,5-trimethylthiophene-2-sulfonamide?
N-(3-cyanooxolan-3-yl)-N,4,5-trimethylthiophene-2-sulfonamide has a molecular weight of 300.41 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanooxolan-3-yl)-N,4,5-trimethylthiophene-2-sulfonamide is sourced from PubChem (CID 86796631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).