5-cyano-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide

C14H21N3O2S2 — CID 106273114

IUPAC5-cyano-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide
SMILESCCCN(CC1CCCNC1)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C14H21N3O2S2/c1-2-8-17(11-12-4-3-7-16-10-12)21(18,19)14-6-5-13(9-15)20-14/h5-6,12,16H,2-4,7-8,10-11H2,1H3
InChIKeyRWBNMYHSYDPXJI-UHFFFAOYSA-N
MW327.48 g/mol
LogP2.02
Rot. Bonds6

About 5-cyano-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide

5-cyano-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide (PubChem CID 106273114) has the molecular formula C14H21N3O2S2 and a molecular weight of 327.48 g/mol. Its IUPAC name is 5-cyano-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide
PubChem CID106273114
Molecular FormulaC14H21N3O2S2
Molecular Weight327.48 g/mol
Exact Mass327.11
IUPAC Name5-cyano-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide
SMILESCCCN(CC1CCCNC1)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C14H21N3O2S2/c1-2-8-17(11-12-4-3-7-16-10-12)21(18,19)14-6-5-13(9-15)20-14/h5-6,12,16H,2-4,7-8,10-11H2,1H3
InChIKeyRWBNMYHSYDPXJI-UHFFFAOYSA-N
XLogP2.02
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzenesulfonamide
CID 106631281
5-bromo-4-chloro-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide
CID 106631369
1-cyano-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide
CID 106631368
5-cyano-N-ethyl-N-(piperidin-2-ylmethyl)thiophene-2-sulfonamide
CID 106273103
5-cyano-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
CID 106272948
1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide
CID 106631342
3-[[methylsulfamoyl(propyl)amino]methyl]piperidine
CID 106631336
N-(piperidin-3-ylmethyl)-N-propylcyclopentanesulfonamide
CID 106631385
5-chloro-N-ethyl-4-methyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide
CID 106631097
N-(piperidin-3-ylmethyl)-N-propylbutane-1-sulfonamide
CID 106631296
5-cyano-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 106267459
4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzonitrile
CID 106625307

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide (CID 106273114) is 5-cyano-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide is CCCN(CC1CCCNC1)S(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-cyano-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide?
The InChIKey is RWBNMYHSYDPXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S2/c1-2-8-17(11-12-4-3-7-16-10-12)21(18,19)14-6-5-13(9-15)20-14/h5-6,12,16H,2-4,7-8,10-11H2,1H3.
What are the key properties of 5-cyano-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide?
5-cyano-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide has a molecular weight of 327.48 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide is sourced from PubChem (CID 106273114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).