N-[1-(1-propylsulfonylpiperidin-4-yl)ethyl]propan-1-amine

C13H28N2O2S — CID 63853504

IUPACN-[1-(1-propylsulfonylpiperidin-4-yl)ethyl]propan-1-amine
SMILESCCCNC(C)C1CCN(S(=O)(=O)CCC)CC1
InChIInChI=1S/C13H28N2O2S/c1-4-8-14-12(3)13-6-9-15(10-7-13)18(16,17)11-5-2/h12-14H,4-11H2,1-3H3
InChIKeyFTEJMMFYXYZSMD-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.83
Rot. Bonds7

About N-[1-(1-propylsulfonylpiperidin-4-yl)ethyl]propan-1-amine

N-[1-(1-propylsulfonylpiperidin-4-yl)ethyl]propan-1-amine (PubChem CID 63853504) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-[1-(1-propylsulfonylpiperidin-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-propylsulfonylpiperidin-4-yl)ethyl]propan-1-amine
PubChem CID63853504
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-[1-(1-propylsulfonylpiperidin-4-yl)ethyl]propan-1-amine
SMILESCCCNC(C)C1CCN(S(=O)(=O)CCC)CC1
InChIInChI=1S/C13H28N2O2S/c1-4-8-14-12(3)13-6-9-15(10-7-13)18(16,17)11-5-2/h12-14H,4-11H2,1-3H3
InChIKeyFTEJMMFYXYZSMD-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopentylethyl)propan-1-amine
CID 60819417
N-[(1R)-1-cyclopentylethyl]propan-1-amine
CID 81395735
N-[(1R)-1-cycloheptylethyl]propan-1-amine
CID 81393503
1-(3-methylbutylsulfonyl)-N-propylpiperidin-4-amine
CID 63834582
2-(propan-2-ylamino)-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 60841652
N-[(1R)-1-cyclobutylethyl]propan-1-amine;molecular hydrogen
CID 177368161
N-cyclopropyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide
CID 114803111
(1R)-1-cyclopentyl-N-(2-ethylsulfonylethyl)ethanamine
CID 81394699
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 43425928
N-tert-butyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide
CID 114803113
N-pentyl-1-propylsulfonylpiperidin-4-amine
CID 43747927
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)propanamide
CID 43696323

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-propylsulfonylpiperidin-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(1-propylsulfonylpiperidin-4-yl)ethyl]propan-1-amine (CID 63853504) is N-[1-(1-propylsulfonylpiperidin-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-propylsulfonylpiperidin-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(1-propylsulfonylpiperidin-4-yl)ethyl]propan-1-amine is CCCNC(C)C1CCN(S(=O)(=O)CCC)CC1.
What is the InChIKey of N-[1-(1-propylsulfonylpiperidin-4-yl)ethyl]propan-1-amine?
The InChIKey is FTEJMMFYXYZSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-4-8-14-12(3)13-6-9-15(10-7-13)18(16,17)11-5-2/h12-14H,4-11H2,1-3H3.
What are the key properties of N-[1-(1-propylsulfonylpiperidin-4-yl)ethyl]propan-1-amine?
N-[1-(1-propylsulfonylpiperidin-4-yl)ethyl]propan-1-amine has a molecular weight of 276.45 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-propylsulfonylpiperidin-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63853504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).