N-(oxolan-3-ylmethyl)-1-propylsulfonylpiperidin-4-amine

C13H26N2O3S — CID 43748003

IUPACN-(oxolan-3-ylmethyl)-1-propylsulfonylpiperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(NCC2CCOC2)CC1
InChIInChI=1S/C13H26N2O3S/c1-2-9-19(16,17)15-6-3-13(4-7-15)14-10-12-5-8-18-11-12/h12-14H,2-11H2,1H3
InChIKeyULDLNRFMXPESTF-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.82
Rot. Bonds6

About N-(oxolan-3-ylmethyl)-1-propylsulfonylpiperidin-4-amine

N-(oxolan-3-ylmethyl)-1-propylsulfonylpiperidin-4-amine (PubChem CID 43748003) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-1-propylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-1-propylsulfonylpiperidin-4-amine
PubChem CID43748003
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-(oxolan-3-ylmethyl)-1-propylsulfonylpiperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(NCC2CCOC2)CC1
InChIInChI=1S/C13H26N2O3S/c1-2-9-19(16,17)15-6-3-13(4-7-15)14-10-12-5-8-18-11-12/h12-14H,2-11H2,1H3
InChIKeyULDLNRFMXPESTF-UHFFFAOYSA-N
XLogP0.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-1-propylsulfonylpiperidin-4-amine?
The IUPAC name of N-(oxolan-3-ylmethyl)-1-propylsulfonylpiperidin-4-amine (CID 43748003) is N-(oxolan-3-ylmethyl)-1-propylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-1-propylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(oxolan-3-ylmethyl)-1-propylsulfonylpiperidin-4-amine is CCCS(=O)(=O)N1CCC(NCC2CCOC2)CC1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-1-propylsulfonylpiperidin-4-amine?
The InChIKey is ULDLNRFMXPESTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-2-9-19(16,17)15-6-3-13(4-7-15)14-10-12-5-8-18-11-12/h12-14H,2-11H2,1H3.
What are the key properties of N-(oxolan-3-ylmethyl)-1-propylsulfonylpiperidin-4-amine?
N-(oxolan-3-ylmethyl)-1-propylsulfonylpiperidin-4-amine has a molecular weight of 290.43 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-1-propylsulfonylpiperidin-4-amine is sourced from PubChem (CID 43748003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).