N-(1-ethylsulfonylpropan-2-yl)-2-piperidin-1-ylpropan-1-amine

C13H28N2O2S — CID 113350724

IUPACN-(1-ethylsulfonylpropan-2-yl)-2-piperidin-1-ylpropan-1-amine
SMILESCCS(=O)(=O)CC(C)NCC(C)N1CCCCC1
InChIInChI=1S/C13H28N2O2S/c1-4-18(16,17)11-12(2)14-10-13(3)15-8-6-5-7-9-15/h12-14H,4-11H2,1-3H3
InChIKeyGZTSWLBHGFPYSC-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.27
Rot. Bonds7

About N-(1-ethylsulfonylpropan-2-yl)-2-piperidin-1-ylpropan-1-amine

N-(1-ethylsulfonylpropan-2-yl)-2-piperidin-1-ylpropan-1-amine (PubChem CID 113350724) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-(1-ethylsulfonylpropan-2-yl)-2-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(1-ethylsulfonylpropan-2-yl)-2-piperidin-1-ylpropan-1-amine
PubChem CID113350724
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-(1-ethylsulfonylpropan-2-yl)-2-piperidin-1-ylpropan-1-amine
SMILESCCS(=O)(=O)CC(C)NCC(C)N1CCCCC1
InChIInChI=1S/C13H28N2O2S/c1-4-18(16,17)11-12(2)14-10-13(3)15-8-6-5-7-9-15/h12-14H,4-11H2,1-3H3
InChIKeyGZTSWLBHGFPYSC-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(azepan-1-yl)-N-[(2S)-1-ethylsulfonylpropan-2-yl]-3-methylbutan-1-amine
CID 99780884
1-[1-(sulfamoylamino)propan-2-yl]piperidine
CID 112686143
N-(1-cyclopentylethyl)-2-piperidin-1-ylpropan-1-amine
CID 62632654
N-(1-cyclopropylethyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79692352
1-chloro-N-(2-piperidin-1-ylpropyl)methanesulfonamide
CID 63663943
N-(1-ethylsulfonylpropan-2-yl)-3-methyl-2-(4-methylpiperazin-1-yl)butan-1-amine
CID 115900724
N-(1-ethylsulfonylpropan-2-yl)-2,3-dimethylbutan-1-amine
CID 115901103
2-(2-piperidin-1-ylpropylamino)ethanesulfonamide
CID 114384890
N-[2-(1,1-dioxo-1,4-thiazepan-4-yl)propyl]butan-2-amine
CID 114083784
5-methyl-N-(2-piperidin-1-ylpropyl)heptan-3-amine
CID 54899309
1-(ethylamino)-N-(2-pyrrolidin-1-ylpropyl)propane-2-sulfonamide
CID 106073122
6,6,6-trifluoro-N-(2-piperidin-1-ylpropyl)hexan-2-amine
CID 116534627

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-2-piperidin-1-ylpropan-1-amine?
The IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-2-piperidin-1-ylpropan-1-amine (CID 113350724) is N-(1-ethylsulfonylpropan-2-yl)-2-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N-(1-ethylsulfonylpropan-2-yl)-2-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N-(1-ethylsulfonylpropan-2-yl)-2-piperidin-1-ylpropan-1-amine is CCS(=O)(=O)CC(C)NCC(C)N1CCCCC1.
What is the InChIKey of N-(1-ethylsulfonylpropan-2-yl)-2-piperidin-1-ylpropan-1-amine?
The InChIKey is GZTSWLBHGFPYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-4-18(16,17)11-12(2)14-10-13(3)15-8-6-5-7-9-15/h12-14H,4-11H2,1-3H3.
What are the key properties of N-(1-ethylsulfonylpropan-2-yl)-2-piperidin-1-ylpropan-1-amine?
N-(1-ethylsulfonylpropan-2-yl)-2-piperidin-1-ylpropan-1-amine has a molecular weight of 276.45 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpropan-2-yl)-2-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 113350724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).