1-[1-(oxan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine

C13H26N2O3S — CID 119974611

IUPAC1-[1-(oxan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(S(=O)(=O)CC2CCCCO2)CC1
InChIInChI=1S/C13H26N2O3S/c1-11(14)12-5-7-15(8-6-12)19(16,17)10-13-4-2-3-9-18-13/h11-13H,2-10,14H2,1H3
InChIKeySDPPPURPYHLXBF-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.94
Rot. Bonds4

About 1-[1-(oxan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine

1-[1-(oxan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine (PubChem CID 119974611) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-[1-(oxan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(oxan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine
PubChem CID119974611
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name1-[1-(oxan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(S(=O)(=O)CC2CCCCO2)CC1
InChIInChI=1S/C13H26N2O3S/c1-11(14)12-5-7-15(8-6-12)19(16,17)10-13-4-2-3-9-18-13/h11-13H,2-10,14H2,1H3
InChIKeySDPPPURPYHLXBF-UHFFFAOYSA-N
XLogP0.94
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxan-2-yl)-N-piperidin-4-yl-N-propylmethanesulfonamide
CID 119042780
3-Fluoro-1-[(2-methyloxan-4-yl)methylsulfonyl]piperidine
CID 167757407
N-(oxan-4-ylmethyl)-N-piperidin-4-ylbutane-1-sulfonamide
CID 70653507
N-(oxan-4-ylmethyl)-N-piperidin-4-yl-2-sulfanylethanesulfonamide
CID 123583003
1-(Oxan-4-ylmethylsulfonyl)piperidin-4-amine
CID 148438099
N-(1-butylpiperidin-4-yl)-1-(oxan-2-yl)methanesulfonamide
CID 53596887
4-Methoxy-1-(piperidin-4-ylmethylsulfonyl)piperidine
CID 54971973
N-[1-(oxolan-2-yl)ethyl]-1-piperidin-4-ylmethanesulfonamide
CID 54972026
N-(oxan-4-yl)-1-piperidin-3-ylmethanesulfonamide
CID 54972281
N-(oxan-4-yl)-1-piperidin-4-ylmethanesulfonamide
CID 54972282
N-methyl-N-(oxan-4-yl)-1-piperidin-3-ylmethanesulfonamide
CID 54972334
N-methyl-N-(oxan-4-yl)-1-piperidin-4-ylmethanesulfonamide
CID 54972335

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-(oxan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine (CID 119974611) is 1-[1-(oxan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(oxan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-(oxan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine is CC(N)C1CCN(S(=O)(=O)CC2CCCCO2)CC1.
What is the InChIKey of 1-[1-(oxan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine?
The InChIKey is SDPPPURPYHLXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-11(14)12-5-7-15(8-6-12)19(16,17)10-13-4-2-3-9-18-13/h11-13H,2-10,14H2,1H3.
What are the key properties of 1-[1-(oxan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine?
1-[1-(oxan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine has a molecular weight of 290.43 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 119974611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).