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

C12H16N2O3S2 — CID 99624673

IUPACN-[(3S)-3-cyanooxolan-3-yl]-N,4,5-trimethylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)[C@]2(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/t12-/m0/s1
InChIKeyZLYBZTTUWWZWIB-LBPRGKRZSA-N
MW300.41 g/mol
LogP1.67
Rot. Bonds3

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

N-[(3S)-3-cyanooxolan-3-yl]-N,4,5-trimethylthiophene-2-sulfonamide (PubChem CID 99624673) has the molecular formula C12H16N2O3S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is N-[(3S)-3-cyanooxolan-3-yl]-N,4,5-trimethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-3-cyanooxolan-3-yl]-N,4,5-trimethylthiophene-2-sulfonamide
PubChem CID99624673
Molecular FormulaC12H16N2O3S2
Molecular Weight300.41 g/mol
Exact Mass300.06
IUPAC NameN-[(3S)-3-cyanooxolan-3-yl]-N,4,5-trimethylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)[C@]2(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/t12-/m0/s1
InChIKeyZLYBZTTUWWZWIB-LBPRGKRZSA-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-[(3S)-3-cyanooxolan-3-yl]-N,4,5-trimethylthiophene-2-sulfonamide?
The IUPAC name of N-[(3S)-3-cyanooxolan-3-yl]-N,4,5-trimethylthiophene-2-sulfonamide (CID 99624673) is N-[(3S)-3-cyanooxolan-3-yl]-N,4,5-trimethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(3S)-3-cyanooxolan-3-yl]-N,4,5-trimethylthiophene-2-sulfonamide?
The canonical SMILES for N-[(3S)-3-cyanooxolan-3-yl]-N,4,5-trimethylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)sc1C.
What is the InChIKey of N-[(3S)-3-cyanooxolan-3-yl]-N,4,5-trimethylthiophene-2-sulfonamide?
The InChIKey is ZLYBZTTUWWZWIB-LBPRGKRZSA-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/t12-/m0/s1.
What are the key properties of N-[(3S)-3-cyanooxolan-3-yl]-N,4,5-trimethylthiophene-2-sulfonamide?
N-[(3S)-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-[(3S)-3-cyanooxolan-3-yl]-N,4,5-trimethylthiophene-2-sulfonamide is sourced from PubChem (CID 99624673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).