N-[1-(1-methylpiperidin-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine

C14H29N3O2S — CID 43628732

IUPACN-[1-(1-methylpiperidin-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine
SMILESCC(NC1CCN(S(C)(=O)=O)CC1)C1CCCN(C)C1
InChIInChI=1S/C14H29N3O2S/c1-12(13-5-4-8-16(2)11-13)15-14-6-9-17(10-7-14)20(3,18)19/h12-15H,4-11H2,1-3H3
InChIKeyJVIGJWXEKNDTIL-UHFFFAOYSA-N
MW303.47 g/mol
LogP0.73
Rot. Bonds4

About N-[1-(1-methylpiperidin-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine

N-[1-(1-methylpiperidin-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine (PubChem CID 43628732) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[1-(1-methylpiperidin-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(1-methylpiperidin-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine
PubChem CID43628732
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC NameN-[1-(1-methylpiperidin-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine
SMILESCC(NC1CCN(S(C)(=O)=O)CC1)C1CCCN(C)C1
InChIInChI=1S/C14H29N3O2S/c1-12(13-5-4-8-16(2)11-13)15-14-6-9-17(10-7-14)20(3,18)19/h12-15H,4-11H2,1-3H3
InChIKeyJVIGJWXEKNDTIL-UHFFFAOYSA-N
XLogP0.73
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,5,5-tetramethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]cyclohexan-1-amine
CID 115923462
1-cyclobutyl-N-[1-(1-methylpiperidin-3-yl)ethyl]ethanamine
CID 115896474
N-[(1S)-1-cyclopentylethyl]-1-methylpiperidin-4-amine
CID 81386748
N-[3-[1-(1-methylpiperidin-3-yl)ethylamino]propyl]methanesulfonamide
CID 103776667
N-[(1S)-1-cycloheptylethyl]-1-methylpyrrolidin-3-amine
CID 81391420
N-(1-cyclohexylethyl)-1-methylpyrrolidin-3-amine
CID 61462202
N-heptan-4-yl-1-methylsulfonylpiperidin-4-amine
CID 43628807
3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-2-amine
CID 43308727
2,3-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-1-amine
CID 64571082
4-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol
CID 113262654
N-tert-butyl-1-methylsulfonylpyrrolidin-3-amine
CID 72663039
N-methyl-1-(1-methylazepan-3-yl)ethanamine
CID 83905848

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpiperidin-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-[1-(1-methylpiperidin-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine (CID 43628732) is N-[1-(1-methylpiperidin-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-[1-(1-methylpiperidin-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-[1-(1-methylpiperidin-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine is CC(NC1CCN(S(C)(=O)=O)CC1)C1CCCN(C)C1.
What is the InChIKey of N-[1-(1-methylpiperidin-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine?
The InChIKey is JVIGJWXEKNDTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-12(13-5-4-8-16(2)11-13)15-14-6-9-17(10-7-14)20(3,18)19/h12-15H,4-11H2,1-3H3.
What are the key properties of N-[1-(1-methylpiperidin-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine?
N-[1-(1-methylpiperidin-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine has a molecular weight of 303.47 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpiperidin-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 43628732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).