N-(oxan-4-ylmethyl)-1-propylsulfonylpiperidin-4-amine

C14H28N2O3S — CID 62386507

IUPACN-(oxan-4-ylmethyl)-1-propylsulfonylpiperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(NCC2CCOCC2)CC1
InChIInChI=1S/C14H28N2O3S/c1-2-11-20(17,18)16-7-3-14(4-8-16)15-12-13-5-9-19-10-6-13/h13-15H,2-12H2,1H3
InChIKeyJHGDCXBGTPEJBJ-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.21
Rot. Bonds6

About N-(oxan-4-ylmethyl)-1-propylsulfonylpiperidin-4-amine

N-(oxan-4-ylmethyl)-1-propylsulfonylpiperidin-4-amine (PubChem CID 62386507) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-1-propylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-1-propylsulfonylpiperidin-4-amine
PubChem CID62386507
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-(oxan-4-ylmethyl)-1-propylsulfonylpiperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(NCC2CCOCC2)CC1
InChIInChI=1S/C14H28N2O3S/c1-2-11-20(17,18)16-7-3-14(4-8-16)15-12-13-5-9-19-10-6-13/h13-15H,2-12H2,1H3
InChIKeyJHGDCXBGTPEJBJ-UHFFFAOYSA-N
XLogP1.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-1-propylsulfonylpiperidin-4-amine?
The IUPAC name of N-(oxan-4-ylmethyl)-1-propylsulfonylpiperidin-4-amine (CID 62386507) is N-(oxan-4-ylmethyl)-1-propylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(oxan-4-ylmethyl)-1-propylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(oxan-4-ylmethyl)-1-propylsulfonylpiperidin-4-amine is CCCS(=O)(=O)N1CCC(NCC2CCOCC2)CC1.
What is the InChIKey of N-(oxan-4-ylmethyl)-1-propylsulfonylpiperidin-4-amine?
The InChIKey is JHGDCXBGTPEJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-2-11-20(17,18)16-7-3-14(4-8-16)15-12-13-5-9-19-10-6-13/h13-15H,2-12H2,1H3.
What are the key properties of N-(oxan-4-ylmethyl)-1-propylsulfonylpiperidin-4-amine?
N-(oxan-4-ylmethyl)-1-propylsulfonylpiperidin-4-amine has a molecular weight of 304.46 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-1-propylsulfonylpiperidin-4-amine is sourced from PubChem (CID 62386507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).