5-cyano-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide

C12H17N3O2S2 — CID 106272948

IUPAC5-cyano-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
SMILESCN(CC1CCNCC1)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C12H17N3O2S2/c1-15(9-10-4-6-14-7-5-10)19(16,17)12-3-2-11(8-13)18-12/h2-3,10,14H,4-7,9H2,1H3
InChIKeyKHEVGUWOANZAOG-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.24
Rot. Bonds4

About 5-cyano-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide

5-cyano-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide (PubChem CID 106272948) has the molecular formula C12H17N3O2S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 5-cyano-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
PubChem CID106272948
Molecular FormulaC12H17N3O2S2
Molecular Weight299.42 g/mol
Exact Mass299.08
IUPAC Name5-cyano-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
SMILESCN(CC1CCNCC1)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C12H17N3O2S2/c1-15(9-10-4-6-14-7-5-10)19(16,17)12-3-2-11(8-13)18-12/h2-3,10,14H,4-7,9H2,1H3
InChIKeyKHEVGUWOANZAOG-UHFFFAOYSA-N
XLogP1.24
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
CID 79716907
5-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide;hydrochloride
CID 71642494
5-cyano-N-ethyl-N-methylthiophene-2-sulfonamide
CID 106267270
5-cyano-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide
CID 106273114
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-cyano-N-methylthiophene-2-sulfonamide
CID 106272763
5-cyano-N-ethyl-N-(piperidin-2-ylmethyl)thiophene-2-sulfonamide
CID 106273103
5-cyano-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 114166157
5-cyano-N-(1-ethylpiperidin-4-yl)-N-methylthiophene-2-sulfonamide
CID 106267859
5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-2-sulfonamide
CID 62067638
5-cyano-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide
CID 106269325
5-cyano-N-methyl-N-[3-(methylamino)propyl]thiophene-2-sulfonamide
CID 106266702
5-cyano-N-methyl-N-(4-methylphenyl)thiophene-2-sulfonamide
CID 106268008

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide (CID 106272948) is 5-cyano-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide is CN(CC1CCNCC1)S(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-cyano-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is KHEVGUWOANZAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S2/c1-15(9-10-4-6-14-7-5-10)19(16,17)12-3-2-11(8-13)18-12/h2-3,10,14H,4-7,9H2,1H3.
What are the key properties of 5-cyano-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide?
5-cyano-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 299.42 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106272948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).