3-ethyl-1-(3-ethylsulfonylpropyl)-N-methylpiperidin-4-amine

C13H28N2O2S — CID 114507903

IUPAC3-ethyl-1-(3-ethylsulfonylpropyl)-N-methylpiperidin-4-amine
SMILESCCC1CN(CCCS(=O)(=O)CC)CCC1NC
InChIInChI=1S/C13H28N2O2S/c1-4-12-11-15(9-7-13(12)14-3)8-6-10-18(16,17)5-2/h12-14H,4-11H2,1-3H3
InChIKeyCDGNGGNHMSZKSU-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.13
Rot. Bonds7

About 3-ethyl-1-(3-ethylsulfonylpropyl)-N-methylpiperidin-4-amine

3-ethyl-1-(3-ethylsulfonylpropyl)-N-methylpiperidin-4-amine (PubChem CID 114507903) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 3-ethyl-1-(3-ethylsulfonylpropyl)-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-(3-ethylsulfonylpropyl)-N-methylpiperidin-4-amine
PubChem CID114507903
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name3-ethyl-1-(3-ethylsulfonylpropyl)-N-methylpiperidin-4-amine
SMILESCCC1CN(CCCS(=O)(=O)CC)CCC1NC
InChIInChI=1S/C13H28N2O2S/c1-4-12-11-15(9-7-13(12)14-3)8-6-10-18(16,17)5-2/h12-14H,4-11H2,1-3H3
InChIKeyCDGNGGNHMSZKSU-UHFFFAOYSA-N
XLogP1.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

3-[3-ethyl-4-(methylamino)piperidin-1-yl]propan-1-ol
CID 114507793
1-[2-(dimethylamino)ethyl]-3-ethyl-N-methylpiperidin-4-amine
CID 114507992
3-ethyl-N,1-dimethylpiperidin-4-amine
CID 114507994
3-[3-ethyl-4-(methylamino)piperidin-1-yl]propanamide
CID 114507781
N,3-diethyl-1-(2-methylsulfonylethyl)piperidin-4-amine
CID 114507432
3-ethyl-N-methyl-1-(2-propan-2-yloxyethyl)piperidin-4-amine
CID 114507946
3-ethyl-N-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 114507762
1-(2-tert-butylsulfonylethyl)-N,3-diethylpiperidin-4-amine
CID 106721540
2-[1-(3-ethylsulfonylpropyl)pyrrolidin-3-yl]ethanamine
CID 114802608
3-ethyl-N-methyl-1-(oxolan-3-ylmethyl)piperidin-4-amine
CID 114507784
3-ethyl-N-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine
CID 114507218
3-ethyl-N-methyl-1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-amine
CID 114507280

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-ethylsulfonylpropyl)-N-methylpiperidin-4-amine?
The IUPAC name of 3-ethyl-1-(3-ethylsulfonylpropyl)-N-methylpiperidin-4-amine (CID 114507903) is 3-ethyl-1-(3-ethylsulfonylpropyl)-N-methylpiperidin-4-amine.
What is the SMILES notation for 3-ethyl-1-(3-ethylsulfonylpropyl)-N-methylpiperidin-4-amine?
The canonical SMILES for 3-ethyl-1-(3-ethylsulfonylpropyl)-N-methylpiperidin-4-amine is CCC1CN(CCCS(=O)(=O)CC)CCC1NC.
What is the InChIKey of 3-ethyl-1-(3-ethylsulfonylpropyl)-N-methylpiperidin-4-amine?
The InChIKey is CDGNGGNHMSZKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-4-12-11-15(9-7-13(12)14-3)8-6-10-18(16,17)5-2/h12-14H,4-11H2,1-3H3.
What are the key properties of 3-ethyl-1-(3-ethylsulfonylpropyl)-N-methylpiperidin-4-amine?
3-ethyl-1-(3-ethylsulfonylpropyl)-N-methylpiperidin-4-amine has a molecular weight of 276.45 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-ethylsulfonylpropyl)-N-methylpiperidin-4-amine is sourced from PubChem (CID 114507903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).