5-cyano-N-(1-ethylpiperidin-4-yl)-N-methylthiophene-2-sulfonamide

C13H19N3O2S2 — CID 106267859

IUPAC5-cyano-N-(1-ethylpiperidin-4-yl)-N-methylthiophene-2-sulfonamide
SMILESCCN1CCC(N(C)S(=O)(=O)c2ccc(C#N)s2)CC1
InChIInChI=1S/C13H19N3O2S2/c1-3-16-8-6-11(7-9-16)15(2)20(17,18)13-5-4-12(10-14)19-13/h4-5,11H,3,6-9H2,1-2H3
InChIKeyCPLTZQITFMNCHQ-UHFFFAOYSA-N
MW313.45 g/mol
LogP1.72
Rot. Bonds4

About 5-cyano-N-(1-ethylpiperidin-4-yl)-N-methylthiophene-2-sulfonamide

5-cyano-N-(1-ethylpiperidin-4-yl)-N-methylthiophene-2-sulfonamide (PubChem CID 106267859) has the molecular formula C13H19N3O2S2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 5-cyano-N-(1-ethylpiperidin-4-yl)-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(1-ethylpiperidin-4-yl)-N-methylthiophene-2-sulfonamide
PubChem CID106267859
Molecular FormulaC13H19N3O2S2
Molecular Weight313.45 g/mol
Exact Mass313.09
IUPAC Name5-cyano-N-(1-ethylpiperidin-4-yl)-N-methylthiophene-2-sulfonamide
SMILESCCN1CCC(N(C)S(=O)(=O)c2ccc(C#N)s2)CC1
InChIInChI=1S/C13H19N3O2S2/c1-3-16-8-6-11(7-9-16)15(2)20(17,18)13-5-4-12(10-14)19-13/h4-5,11H,3,6-9H2,1-2H3
InChIKeyCPLTZQITFMNCHQ-UHFFFAOYSA-N
XLogP1.72
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 114166157
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-cyano-N-methylthiophene-2-sulfonamide
CID 106272763
5-cyano-N-ethyl-N-methylthiophene-2-sulfonamide
CID 106267270
5-(4-ethylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 114166176
5-cyano-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-sulfonamide
CID 106268641
5-cyano-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
CID 106272948
N-(1-ethylpiperidin-4-yl)-N,3,4-trimethylbenzenesulfonamide
CID 36649156
5-cyano-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide
CID 114166213
5-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylthiophene-2-sulfonamide
CID 106269281
5-cyano-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 106267459
5-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carbonitrile
CID 106266846
N-(1-ethylpiperidin-4-yl)-2-hydroxy-N-methylbenzenesulfonamide
CID 81242168

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(1-ethylpiperidin-4-yl)-N-methylthiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(1-ethylpiperidin-4-yl)-N-methylthiophene-2-sulfonamide (CID 106267859) is 5-cyano-N-(1-ethylpiperidin-4-yl)-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(1-ethylpiperidin-4-yl)-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(1-ethylpiperidin-4-yl)-N-methylthiophene-2-sulfonamide is CCN1CCC(N(C)S(=O)(=O)c2ccc(C#N)s2)CC1.
What is the InChIKey of 5-cyano-N-(1-ethylpiperidin-4-yl)-N-methylthiophene-2-sulfonamide?
The InChIKey is CPLTZQITFMNCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S2/c1-3-16-8-6-11(7-9-16)15(2)20(17,18)13-5-4-12(10-14)19-13/h4-5,11H,3,6-9H2,1-2H3.
What are the key properties of 5-cyano-N-(1-ethylpiperidin-4-yl)-N-methylthiophene-2-sulfonamide?
5-cyano-N-(1-ethylpiperidin-4-yl)-N-methylthiophene-2-sulfonamide has a molecular weight of 313.45 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(1-ethylpiperidin-4-yl)-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 106267859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).