5-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylthiophene-2-sulfonamide

C12H19N3O2S2 — CID 106269281

IUPAC5-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylthiophene-2-sulfonamide
SMILESCCN(C(C)CN(C)C)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C12H19N3O2S2/c1-5-15(10(2)9-14(3)4)19(16,17)12-7-6-11(8-13)18-12/h6-7,10H,5,9H2,1-4H3
InChIKeyQQSKLQQFZKYMFR-UHFFFAOYSA-N
MW301.44 g/mol
LogP1.58
Rot. Bonds6

About 5-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylthiophene-2-sulfonamide

5-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylthiophene-2-sulfonamide (PubChem CID 106269281) has the molecular formula C12H19N3O2S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is 5-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylthiophene-2-sulfonamide
PubChem CID106269281
Molecular FormulaC12H19N3O2S2
Molecular Weight301.44 g/mol
Exact Mass301.09
IUPAC Name5-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylthiophene-2-sulfonamide
SMILESCCN(C(C)CN(C)C)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C12H19N3O2S2/c1-5-15(10(2)9-14(3)4)19(16,17)12-7-6-11(8-13)18-12/h6-7,10H,5,9H2,1-4H3
InChIKeyQQSKLQQFZKYMFR-UHFFFAOYSA-N
XLogP1.58
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-N-ethyl-N-methylthiophene-2-sulfonamide
CID 106267270
5-cyano-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide
CID 114166213
5-cyano-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267892
5-cyano-N-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide
CID 106267582
5-cyano-N-[3-(dimethylamino)propyl]-N-ethylthiophene-2-sulfonamide
CID 106269262
5-cyano-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-sulfonamide
CID 106267815
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 103192356
methyl 2-[(5-cyanothiophen-2-yl)sulfonyl-propan-2-ylamino]acetate
CID 106267874
6-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide
CID 103188942
5-cyano-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 106267459
5-cyano-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-sulfonamide
CID 106268641
5-cyano-N-methyl-N-(4-methylphenyl)thiophene-2-sulfonamide
CID 106268008

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylthiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylthiophene-2-sulfonamide (CID 106269281) is 5-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylthiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylthiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylthiophene-2-sulfonamide is CCN(C(C)CN(C)C)S(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylthiophene-2-sulfonamide?
The InChIKey is QQSKLQQFZKYMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S2/c1-5-15(10(2)9-14(3)4)19(16,17)12-7-6-11(8-13)18-12/h6-7,10H,5,9H2,1-4H3.
What are the key properties of 5-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylthiophene-2-sulfonamide?
5-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylthiophene-2-sulfonamide has a molecular weight of 301.44 g/mol, XLogP of 1.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 106269281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).