1-cyano-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide

C11H21N3O2S — CID 106631368

IUPAC1-cyano-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide
SMILESCCCN(CC1CCCNC1)S(=O)(=O)CC#N
InChIInChI=1S/C11H21N3O2S/c1-2-7-14(17(15,16)8-5-12)10-11-4-3-6-13-9-11/h11,13H,2-4,6-10H2,1H3
InChIKeyGAZRHTDFOGLMFF-UHFFFAOYSA-N
MW259.37 g/mol
LogP0.55
Rot. Bonds6

About 1-cyano-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide

1-cyano-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide (PubChem CID 106631368) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-cyano-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide
PubChem CID106631368
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC Name1-cyano-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide
SMILESCCCN(CC1CCCNC1)S(=O)(=O)CC#N
InChIInChI=1S/C11H21N3O2S/c1-2-7-14(17(15,16)8-5-12)10-11-4-3-6-13-9-11/h11,13H,2-4,6-10H2,1H3
InChIKeyGAZRHTDFOGLMFF-UHFFFAOYSA-N
XLogP0.55
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide
CID 106631342
N-(piperidin-3-ylmethyl)-N-propylbutane-1-sulfonamide
CID 106631296
N-(piperidin-3-ylmethyl)-N-propylcyclopentanesulfonamide
CID 106631385
3-[[methylsulfamoyl(propyl)amino]methyl]piperidine
CID 106631336
5-cyano-N-(piperidin-3-ylmethyl)-N-propylthiophene-2-sulfonamide
CID 106273114
3-[[2-methylpropylsulfamoyl(propyl)amino]methyl]piperidine
CID 106631308
4-[piperidin-3-ylmethyl(propyl)amino]butanenitrile
CID 106640658
4-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzenesulfonamide
CID 106631281
N-(2-hydroxyethyl)-1-piperidin-3-yl-N-propylmethanesulfonamide
CID 54972143
3-[methyl(piperidin-3-ylmethyl)amino]propanenitrile
CID 80554591
3-[piperidin-3-ylmethyl(propan-2-yl)amino]propanenitrile
CID 80554495
1-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106607994

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide?
The IUPAC name of 1-cyano-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide (CID 106631368) is 1-cyano-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide.
What is the SMILES notation for 1-cyano-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide?
The canonical SMILES for 1-cyano-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide is CCCN(CC1CCCNC1)S(=O)(=O)CC#N.
What is the InChIKey of 1-cyano-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide?
The InChIKey is GAZRHTDFOGLMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-2-7-14(17(15,16)8-5-12)10-11-4-3-6-13-9-11/h11,13H,2-4,6-10H2,1H3.
What are the key properties of 1-cyano-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide?
1-cyano-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide has a molecular weight of 259.37 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide is sourced from PubChem (CID 106631368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).