N-(4-methoxy-4-methylpentan-2-yl)-1-methylsulfonylpiperidin-4-amine

C13H28N2O3S — CID 43628711

IUPACN-(4-methoxy-4-methylpentan-2-yl)-1-methylsulfonylpiperidin-4-amine
SMILESCOC(C)(C)CC(C)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H28N2O3S/c1-11(10-13(2,3)18-4)14-12-6-8-15(9-7-12)19(5,16)17/h11-12,14H,6-10H2,1-5H3
InChIKeyZWBUJBAQOGMWAM-UHFFFAOYSA-N
MW292.44 g/mol
LogP1.20
Rot. Bonds6

About N-(4-methoxy-4-methylpentan-2-yl)-1-methylsulfonylpiperidin-4-amine

N-(4-methoxy-4-methylpentan-2-yl)-1-methylsulfonylpiperidin-4-amine (PubChem CID 43628711) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is N-(4-methoxy-4-methylpentan-2-yl)-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxy-4-methylpentan-2-yl)-1-methylsulfonylpiperidin-4-amine
PubChem CID43628711
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC NameN-(4-methoxy-4-methylpentan-2-yl)-1-methylsulfonylpiperidin-4-amine
SMILESCOC(C)(C)CC(C)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H28N2O3S/c1-11(10-13(2,3)18-4)14-12-6-8-15(9-7-12)19(5,16)17/h11-12,14H,6-10H2,1-5H3
InChIKeyZWBUJBAQOGMWAM-UHFFFAOYSA-N
XLogP1.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxy-2,4-dimethylpiperidin-3-yl)methyl]methanesulfonamide
CID 139343321
N-[(4-hydroxy-4,6-dimethylpiperidin-3-yl)methyl]methanesulfonamide
CID 139343537
N-((4-Hydroxy-2,4,5-trimethylpiperidin-3-yl)methyl)methanesulfonamide
CID 139343638
1-(3-Methoxy-3-methylbutyl)sulfonylpiperidin-4-amine
CID 161104551
N-[3-(methoxymethyl)piperidin-4-yl]methanesulfonamide
CID 167138260
1-ethylsulfonyl-N-(4-methoxy-4-methylpentan-2-yl)piperidin-4-amine
CID 43147235
N-[2-[(4-methoxy-4-methylpentan-2-yl)amino]ethyl]methanesulfonamide
CID 43147237
2-[(4-Methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide
CID 43551690
1-methylsulfonyl-N-(oxolan-3-ylmethyl)piperidin-4-amine
CID 43628854
N-(4-methoxy-4-methylpentan-2-yl)-1-propylsulfonylpiperidin-4-amine
CID 43747924
N-ethyl-N-[3-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]methanesulfonamide
CID 54903343
N-[1-[(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 55256182

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-1-methylsulfonylpiperidin-4-amine (CID 43628711) is N-(4-methoxy-4-methylpentan-2-yl)-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(4-methoxy-4-methylpentan-2-yl)-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(4-methoxy-4-methylpentan-2-yl)-1-methylsulfonylpiperidin-4-amine is COC(C)(C)CC(C)NC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-(4-methoxy-4-methylpentan-2-yl)-1-methylsulfonylpiperidin-4-amine?
The InChIKey is ZWBUJBAQOGMWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-11(10-13(2,3)18-4)14-12-6-8-15(9-7-12)19(5,16)17/h11-12,14H,6-10H2,1-5H3.
What are the key properties of N-(4-methoxy-4-methylpentan-2-yl)-1-methylsulfonylpiperidin-4-amine?
N-(4-methoxy-4-methylpentan-2-yl)-1-methylsulfonylpiperidin-4-amine has a molecular weight of 292.44 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-4-methylpentan-2-yl)-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 43628711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).