N-ethyl-2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)piperidin-4-amine

C13H28N2O2S — CID 79406765

IUPACN-ethyl-2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)piperidin-4-amine
SMILESCCNC1CCN(C(C)CS(C)(=O)=O)C(C)C1C
InChIInChI=1S/C13H28N2O2S/c1-6-14-13-7-8-15(12(4)11(13)3)10(2)9-18(5,16)17/h10-14H,6-9H2,1-5H3
InChIKeyRYBPSNPOEDFDCF-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.13
Rot. Bonds5

About N-ethyl-2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)piperidin-4-amine

N-ethyl-2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)piperidin-4-amine (PubChem CID 79406765) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-ethyl-2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)piperidin-4-amine
PubChem CID79406765
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-ethyl-2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)piperidin-4-amine
SMILESCCNC1CCN(C(C)CS(C)(=O)=O)C(C)C1C
InChIInChI=1S/C13H28N2O2S/c1-6-14-13-7-8-15(12(4)11(13)3)10(2)9-18(5,16)17/h10-14H,6-9H2,1-5H3
InChIKeyRYBPSNPOEDFDCF-UHFFFAOYSA-N
XLogP1.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine
CID 79407079
N-ethyl-2,3-dimethyl-1-(3-methylsulfonylpropyl)piperidin-4-amine
CID 79407263
N-ethyl-2,3-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-amine
CID 79407166
N-ethyl-1-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylpiperidin-4-amine
CID 79397893
N-ethyl-2,3-dimethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-amine
CID 79407315
2-methyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine
CID 64643789
N-ethyl-1-[1-(2-fluorophenyl)ethyl]-2,3-dimethylpiperidin-4-amine
CID 79407253
1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79396947
1-(2-cyclopropylethyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79406628
3-butan-2-ylsulfonyl-N-ethyl-2-methylcyclopentan-1-amine
CID 64903872
2,3-dimethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-N-propylpiperidin-4-amine
CID 79413585
1-(2,2-dimethylbutyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 103461886

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)piperidin-4-amine?
The IUPAC name of N-ethyl-2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)piperidin-4-amine (CID 79406765) is N-ethyl-2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)piperidin-4-amine.
What is the SMILES notation for N-ethyl-2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)piperidin-4-amine?
The canonical SMILES for N-ethyl-2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)piperidin-4-amine is CCNC1CCN(C(C)CS(C)(=O)=O)C(C)C1C.
What is the InChIKey of N-ethyl-2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)piperidin-4-amine?
The InChIKey is RYBPSNPOEDFDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-6-14-13-7-8-15(12(4)11(13)3)10(2)9-18(5,16)17/h10-14H,6-9H2,1-5H3.
What are the key properties of N-ethyl-2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)piperidin-4-amine?
N-ethyl-2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)piperidin-4-amine has a molecular weight of 276.45 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)piperidin-4-amine is sourced from PubChem (CID 79406765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).