3-[(1-methylsulfonylpiperidin-4-yl)amino]pentanenitrile

C11H21N3O2S — CID 43629001

IUPAC3-[(1-methylsulfonylpiperidin-4-yl)amino]pentanenitrile
SMILESCCC(CC#N)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H21N3O2S/c1-3-10(4-7-12)13-11-5-8-14(9-6-11)17(2,15)16/h10-11,13H,3-6,8-9H2,1-2H3
InChIKeyWZDYAULBOBEYHV-UHFFFAOYSA-N
MW259.37 g/mol
LogP0.69
Rot. Bonds5

About 3-[(1-methylsulfonylpiperidin-4-yl)amino]pentanenitrile

3-[(1-methylsulfonylpiperidin-4-yl)amino]pentanenitrile (PubChem CID 43629001) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is 3-[(1-methylsulfonylpiperidin-4-yl)amino]pentanenitrile.

Molecular Properties

Compound Name3-[(1-methylsulfonylpiperidin-4-yl)amino]pentanenitrile
PubChem CID43629001
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC Name3-[(1-methylsulfonylpiperidin-4-yl)amino]pentanenitrile
SMILESCCC(CC#N)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H21N3O2S/c1-3-10(4-7-12)13-11-5-8-14(9-6-11)17(2,15)16/h10-11,13H,3-6,8-9H2,1-2H3
InChIKeyWZDYAULBOBEYHV-UHFFFAOYSA-N
XLogP0.69
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(Piperidin-4-yl)methanesulfonamide
CID 16227261
1-(Methanesulfonyl)piperidin-4-amine
CID 11355826
N-(piperidin-4-yl)methanesulfonamide hydrochloride
CID 20569935
N-methyl-N-(piperidin-4-yl)methanesulfonamide hydrochloride
CID 45792536
N-Methyl-1-(methylsulfonyl)-4-piperidinamine
CID 18758393
N-[2-(piperidin-2-yl)ethyl]methanesulfonamide
CID 4090533
1-methanesulfonyl-N-methylpiperidin-4-amine hydrochloride
CID 71756038
N-methyl-N-{2-[(1-methylpiperidin-4-yl)amino]ethyl}methanesulfonamide
CID 50954696
N-[[1-(1-cyanoethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 121538657
N-(2-fluoroethyl)-1-methylsulfonylpiperidin-4-amine
CID 80694689
N-(3-fluoropropyl)-1-methylsulfonylpiperidin-4-amine
CID 81106807
3,3,3-Trifluoro-2-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]propanenitrile
CID 103367059

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylsulfonylpiperidin-4-yl)amino]pentanenitrile?
The IUPAC name of 3-[(1-methylsulfonylpiperidin-4-yl)amino]pentanenitrile (CID 43629001) is 3-[(1-methylsulfonylpiperidin-4-yl)amino]pentanenitrile.
What is the SMILES notation for 3-[(1-methylsulfonylpiperidin-4-yl)amino]pentanenitrile?
The canonical SMILES for 3-[(1-methylsulfonylpiperidin-4-yl)amino]pentanenitrile is CCC(CC#N)NC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 3-[(1-methylsulfonylpiperidin-4-yl)amino]pentanenitrile?
The InChIKey is WZDYAULBOBEYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-3-10(4-7-12)13-11-5-8-14(9-6-11)17(2,15)16/h10-11,13H,3-6,8-9H2,1-2H3.
What are the key properties of 3-[(1-methylsulfonylpiperidin-4-yl)amino]pentanenitrile?
3-[(1-methylsulfonylpiperidin-4-yl)amino]pentanenitrile has a molecular weight of 259.37 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylsulfonylpiperidin-4-yl)amino]pentanenitrile is sourced from PubChem (CID 43629001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).