N-(4-propylsulfonylphenyl)oxolan-3-amine

C13H19NO3S — CID 80712945

IUPACN-(4-propylsulfonylphenyl)oxolan-3-amine
SMILESCCCS(=O)(=O)c1ccc(NC2CCOC2)cc1
InChIInChI=1S/C13H19NO3S/c1-2-9-18(15,16)13-5-3-11(4-6-13)14-12-7-8-17-10-12/h3-6,12,14H,2,7-10H2,1H3
InChIKeyOFBZYNUKAPIGID-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.07
Rot. Bonds5

About N-(4-propylsulfonylphenyl)oxolan-3-amine

N-(4-propylsulfonylphenyl)oxolan-3-amine (PubChem CID 80712945) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(4-propylsulfonylphenyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(4-propylsulfonylphenyl)oxolan-3-amine
PubChem CID80712945
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-(4-propylsulfonylphenyl)oxolan-3-amine
SMILESCCCS(=O)(=O)c1ccc(NC2CCOC2)cc1
InChIInChI=1S/C13H19NO3S/c1-2-9-18(15,16)13-5-3-11(4-6-13)14-12-7-8-17-10-12/h3-6,12,14H,2,7-10H2,1H3
InChIKeyOFBZYNUKAPIGID-UHFFFAOYSA-N
XLogP2.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-propylsulfonylphenyl)oxolan-3-amine?
The IUPAC name of N-(4-propylsulfonylphenyl)oxolan-3-amine (CID 80712945) is N-(4-propylsulfonylphenyl)oxolan-3-amine.
What is the SMILES notation for N-(4-propylsulfonylphenyl)oxolan-3-amine?
The canonical SMILES for N-(4-propylsulfonylphenyl)oxolan-3-amine is CCCS(=O)(=O)c1ccc(NC2CCOC2)cc1.
What is the InChIKey of N-(4-propylsulfonylphenyl)oxolan-3-amine?
The InChIKey is OFBZYNUKAPIGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-2-9-18(15,16)13-5-3-11(4-6-13)14-12-7-8-17-10-12/h3-6,12,14H,2,7-10H2,1H3.
What are the key properties of N-(4-propylsulfonylphenyl)oxolan-3-amine?
N-(4-propylsulfonylphenyl)oxolan-3-amine has a molecular weight of 269.37 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propylsulfonylphenyl)oxolan-3-amine is sourced from PubChem (CID 80712945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).