N,2-dimethyl-1-(2-methyl-2-methylsulfonylpropyl)piperidin-4-amine

C12H26N2O2S — CID 79559306

IUPACN,2-dimethyl-1-(2-methyl-2-methylsulfonylpropyl)piperidin-4-amine
SMILESCNC1CCN(CC(C)(C)S(C)(=O)=O)C(C)C1
InChIInChI=1S/C12H26N2O2S/c1-10-8-11(13-4)6-7-14(10)9-12(2,3)17(5,15)16/h10-11,13H,6-9H2,1-5H3
InChIKeyDGUIIFHXACLUSH-UHFFFAOYSA-N
MW262.42 g/mol
LogP0.88
Rot. Bonds4

About N,2-dimethyl-1-(2-methyl-2-methylsulfonylpropyl)piperidin-4-amine

N,2-dimethyl-1-(2-methyl-2-methylsulfonylpropyl)piperidin-4-amine (PubChem CID 79559306) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N,2-dimethyl-1-(2-methyl-2-methylsulfonylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-(2-methyl-2-methylsulfonylpropyl)piperidin-4-amine
PubChem CID79559306
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN,2-dimethyl-1-(2-methyl-2-methylsulfonylpropyl)piperidin-4-amine
SMILESCNC1CCN(CC(C)(C)S(C)(=O)=O)C(C)C1
InChIInChI=1S/C12H26N2O2S/c1-10-8-11(13-4)6-7-14(10)9-12(2,3)17(5,15)16/h10-11,13H,6-9H2,1-5H3
InChIKeyDGUIIFHXACLUSH-UHFFFAOYSA-N
XLogP0.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Methanesulfonylethyl)piperidin-4-amine
CID 49817087
2-(2-Methanesulfonylethyl)piperidine hydrochloride
CID 72716379
2-(2-(Methylsulfonyl)ethyl)piperidine
CID 53485993
N-(piperidin-4-yl)propane-1-sulfonamide hydrochloride
CID 43810661
1-(2-Methylpropanesulfonyl)piperidin-4-amine
CID 64479327
N-(1-ethylsulfonylpropan-2-yl)-1-propan-2-ylpiperidin-4-amine
CID 86811497
1-[2-(Methylsulfonyl)ethyl]piperidin-4-amine dihydrochloride
CID 54758999
N-(3-methylsulfonylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 54905511
N-(2-methylsulfonylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 54932638
1-(2-Methylpropane-2-sulfonyl)piperidin-4-amine
CID 63687460
N-(1-methylsulfonylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 64629989
N-(2-methylsulfonylethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 64852374

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(2-methyl-2-methylsulfonylpropyl)piperidin-4-amine?
The IUPAC name of N,2-dimethyl-1-(2-methyl-2-methylsulfonylpropyl)piperidin-4-amine (CID 79559306) is N,2-dimethyl-1-(2-methyl-2-methylsulfonylpropyl)piperidin-4-amine.
What is the SMILES notation for N,2-dimethyl-1-(2-methyl-2-methylsulfonylpropyl)piperidin-4-amine?
The canonical SMILES for N,2-dimethyl-1-(2-methyl-2-methylsulfonylpropyl)piperidin-4-amine is CNC1CCN(CC(C)(C)S(C)(=O)=O)C(C)C1.
What is the InChIKey of N,2-dimethyl-1-(2-methyl-2-methylsulfonylpropyl)piperidin-4-amine?
The InChIKey is DGUIIFHXACLUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-10-8-11(13-4)6-7-14(10)9-12(2,3)17(5,15)16/h10-11,13H,6-9H2,1-5H3.
What are the key properties of N,2-dimethyl-1-(2-methyl-2-methylsulfonylpropyl)piperidin-4-amine?
N,2-dimethyl-1-(2-methyl-2-methylsulfonylpropyl)piperidin-4-amine has a molecular weight of 262.42 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(2-methyl-2-methylsulfonylpropyl)piperidin-4-amine is sourced from PubChem (CID 79559306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).