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

C15H32N2O3S — CID 43747924

IUPACN-(4-methoxy-4-methylpentan-2-yl)-1-propylsulfonylpiperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(NC(C)CC(C)(C)OC)CC1
InChIInChI=1S/C15H32N2O3S/c1-6-11-21(18,19)17-9-7-14(8-10-17)16-13(2)12-15(3,4)20-5/h13-14,16H,6-12H2,1-5H3
InChIKeyVRMAMOYBTCIPSL-UHFFFAOYSA-N
MW320.50 g/mol
LogP1.98
Rot. Bonds8

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

N-(4-methoxy-4-methylpentan-2-yl)-1-propylsulfonylpiperidin-4-amine (PubChem CID 43747924) has the molecular formula C15H32N2O3S and a molecular weight of 320.50 g/mol. Its IUPAC name is N-(4-methoxy-4-methylpentan-2-yl)-1-propylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxy-4-methylpentan-2-yl)-1-propylsulfonylpiperidin-4-amine
PubChem CID43747924
Molecular FormulaC15H32N2O3S
Molecular Weight320.50 g/mol
Exact Mass320.21
IUPAC NameN-(4-methoxy-4-methylpentan-2-yl)-1-propylsulfonylpiperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(NC(C)CC(C)(C)OC)CC1
InChIInChI=1S/C15H32N2O3S/c1-6-11-21(18,19)17-9-7-14(8-10-17)16-13(2)12-15(3,4)20-5/h13-14,16H,6-12H2,1-5H3
InChIKeyVRMAMOYBTCIPSL-UHFFFAOYSA-N
XLogP1.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxy-1,3-dimethylbutyl)-1-(methylsulfonyl)piperidin-4-amine
CID 43628711
1-(3-Methoxy-3-methylbutyl)sulfonylpiperidin-4-amine
CID 161104551
1-ethylsulfonyl-N-(4-methoxy-4-methylpentan-2-yl)piperidin-4-amine
CID 43147235
2-[(4-Methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide
CID 43551690
N-ethyl-N-[3-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]methanesulfonamide
CID 54903343
3-(4-methoxypiperidin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine
CID 54972022
N-[2-(4-methoxypiperidin-1-yl)sulfonylethyl]propan-2-amine
CID 54972725
1-(2-methoxyethylsulfonyl)-N-propylpiperidin-4-amine
CID 55009683
2-methoxy-N-piperidin-4-yl-N-propylethanesulfonamide
CID 55014120
3-methoxy-N-(1-piperidin-3-ylethyl)propane-1-sulfonamide
CID 55170379
1-(3-methoxypropylsulfonyl)-N-propylpiperidin-4-amine
CID 55172298
N-ethyl-3-methoxy-N-piperidin-4-ylpropane-1-sulfonamide
CID 55172689

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-1-propylsulfonylpiperidin-4-amine?
The IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-1-propylsulfonylpiperidin-4-amine (CID 43747924) is N-(4-methoxy-4-methylpentan-2-yl)-1-propylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(4-methoxy-4-methylpentan-2-yl)-1-propylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(4-methoxy-4-methylpentan-2-yl)-1-propylsulfonylpiperidin-4-amine is CCCS(=O)(=O)N1CCC(NC(C)CC(C)(C)OC)CC1.
What is the InChIKey of N-(4-methoxy-4-methylpentan-2-yl)-1-propylsulfonylpiperidin-4-amine?
The InChIKey is VRMAMOYBTCIPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3S/c1-6-11-21(18,19)17-9-7-14(8-10-17)16-13(2)12-15(3,4)20-5/h13-14,16H,6-12H2,1-5H3.
What are the key properties of N-(4-methoxy-4-methylpentan-2-yl)-1-propylsulfonylpiperidin-4-amine?
N-(4-methoxy-4-methylpentan-2-yl)-1-propylsulfonylpiperidin-4-amine has a molecular weight of 320.50 g/mol, XLogP of 1.98, 8 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-propylsulfonylpiperidin-4-amine is sourced from PubChem (CID 43747924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).