5-cyano-N-ethyl-N-(piperidin-2-ylmethyl)thiophene-2-sulfonamide

C13H19N3O2S2 — CID 106273103

IUPAC5-cyano-N-ethyl-N-(piperidin-2-ylmethyl)thiophene-2-sulfonamide
SMILESCCN(CC1CCCCN1)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C13H19N3O2S2/c1-2-16(10-11-5-3-4-8-15-11)20(17,18)13-7-6-12(9-14)19-13/h6-7,11,15H,2-5,8,10H2,1H3
InChIKeyPZDJZWXEEMMNBF-UHFFFAOYSA-N
MW313.45 g/mol
LogP1.77
Rot. Bonds5

About 5-cyano-N-ethyl-N-(piperidin-2-ylmethyl)thiophene-2-sulfonamide

5-cyano-N-ethyl-N-(piperidin-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 106273103) has the molecular formula C13H19N3O2S2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 5-cyano-N-ethyl-N-(piperidin-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-ethyl-N-(piperidin-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID106273103
Molecular FormulaC13H19N3O2S2
Molecular Weight313.45 g/mol
Exact Mass313.09
IUPAC Name5-cyano-N-ethyl-N-(piperidin-2-ylmethyl)thiophene-2-sulfonamide
SMILESCCN(CC1CCCCN1)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C13H19N3O2S2/c1-2-16(10-11-5-3-4-8-15-11)20(17,18)13-7-6-12(9-14)19-13/h6-7,11,15H,2-5,8,10H2,1H3
InChIKeyPZDJZWXEEMMNBF-UHFFFAOYSA-N
XLogP1.77
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-sulfonamide
CID 106630606
5-cyano-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide
CID 106273114
4-cyano-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106920662
6-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide
CID 106608168
3-cyano-N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607931
3,4-dichloro-N-ethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630300
5-cyano-N-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide
CID 106267582
4-cyano-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608397
2-chloro-4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608125
5-cyano-N-[3-(dimethylamino)propyl]-N-ethylthiophene-2-sulfonamide
CID 106269262
5-cyano-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
CID 106272948
5-cyano-N-ethyl-N-methylthiophene-2-sulfonamide
CID 106267270

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-ethyl-N-(piperidin-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-ethyl-N-(piperidin-2-ylmethyl)thiophene-2-sulfonamide (CID 106273103) is 5-cyano-N-ethyl-N-(piperidin-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-ethyl-N-(piperidin-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-ethyl-N-(piperidin-2-ylmethyl)thiophene-2-sulfonamide is CCN(CC1CCCCN1)S(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-cyano-N-ethyl-N-(piperidin-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is PZDJZWXEEMMNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S2/c1-2-16(10-11-5-3-4-8-15-11)20(17,18)13-7-6-12(9-14)19-13/h6-7,11,15H,2-5,8,10H2,1H3.
What are the key properties of 5-cyano-N-ethyl-N-(piperidin-2-ylmethyl)thiophene-2-sulfonamide?
5-cyano-N-ethyl-N-(piperidin-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 313.45 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-ethyl-N-(piperidin-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106273103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).