3-cyano-N-(2-piperidin-1-ylpropyl)benzenesulfonamide

C15H21N3O2S — CID 61060484

IUPAC3-cyano-N-(2-piperidin-1-ylpropyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1cccc(C#N)c1)N1CCCCC1
InChIInChI=1S/C15H21N3O2S/c1-13(18-8-3-2-4-9-18)12-17-21(19,20)15-7-5-6-14(10-15)11-16/h5-7,10,13,17H,2-4,8-9,12H2,1H3
InChIKeyLPNZIFZWLLDNLI-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.71
Rot. Bonds5

About 3-cyano-N-(2-piperidin-1-ylpropyl)benzenesulfonamide

3-cyano-N-(2-piperidin-1-ylpropyl)benzenesulfonamide (PubChem CID 61060484) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 3-cyano-N-(2-piperidin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(2-piperidin-1-ylpropyl)benzenesulfonamide
PubChem CID61060484
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name3-cyano-N-(2-piperidin-1-ylpropyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1cccc(C#N)c1)N1CCCCC1
InChIInChI=1S/C15H21N3O2S/c1-13(18-8-3-2-4-9-18)12-17-21(19,20)15-7-5-6-14(10-15)11-16/h5-7,10,13,17H,2-4,8-9,12H2,1H3
InChIKeyLPNZIFZWLLDNLI-UHFFFAOYSA-N
XLogP1.71
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 47006104
N-(2-amino-4-methylpentyl)-3-cyanobenzenesulfonamide
CID 43606402
3-cyano-N-[(2R)-2-(ethylamino)propyl]benzenesulfonamide;hydrochloride
CID 120664547
3-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 26542199
3,4-dimethoxy-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzenesulfonamide
CID 93157622
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-cyanobenzenesulfonamide
CID 119976036
4-methoxy-3-methyl-N-(2-piperidin-1-ylpropyl)benzenesulfonamide
CID 112502382
3-bromo-4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 106545497
3-cyano-N-(cycloheptylmethyl)benzenesulfonamide
CID 3671266
3-bromo-4-methoxy-N-(2-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 112727228
N-(2-piperidin-1-ylpropyl)-4-propan-2-yloxybenzenesulfonamide
CID 112502420
3-[(3-cyanophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 115581954

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-piperidin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(2-piperidin-1-ylpropyl)benzenesulfonamide (CID 61060484) is 3-cyano-N-(2-piperidin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(2-piperidin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(2-piperidin-1-ylpropyl)benzenesulfonamide is CC(CNS(=O)(=O)c1cccc(C#N)c1)N1CCCCC1.
What is the InChIKey of 3-cyano-N-(2-piperidin-1-ylpropyl)benzenesulfonamide?
The InChIKey is LPNZIFZWLLDNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-13(18-8-3-2-4-9-18)12-17-21(19,20)15-7-5-6-14(10-15)11-16/h5-7,10,13,17H,2-4,8-9,12H2,1H3.
What are the key properties of 3-cyano-N-(2-piperidin-1-ylpropyl)benzenesulfonamide?
3-cyano-N-(2-piperidin-1-ylpropyl)benzenesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-piperidin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 61060484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).