2-cyclopropyl-3-(2-propylsulfonylethyl)oxolan-3-amine

C12H23NO3S — CID 106733925

IUPAC2-cyclopropyl-3-(2-propylsulfonylethyl)oxolan-3-amine
SMILESCCCS(=O)(=O)CCC1(N)CCOC1C1CC1
InChIInChI=1S/C12H23NO3S/c1-2-8-17(14,15)9-6-12(13)5-7-16-11(12)10-3-4-10/h10-11H,2-9,13H2,1H3
InChIKeyPFPFYYPVSKWCRK-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.10
Rot. Bonds6

About 2-cyclopropyl-3-(2-propylsulfonylethyl)oxolan-3-amine

2-cyclopropyl-3-(2-propylsulfonylethyl)oxolan-3-amine (PubChem CID 106733925) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-propylsulfonylethyl)oxolan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-propylsulfonylethyl)oxolan-3-amine
PubChem CID106733925
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name2-cyclopropyl-3-(2-propylsulfonylethyl)oxolan-3-amine
SMILESCCCS(=O)(=O)CCC1(N)CCOC1C1CC1
InChIInChI=1S/C12H23NO3S/c1-2-8-17(14,15)9-6-12(13)5-7-16-11(12)10-3-4-10/h10-11H,2-9,13H2,1H3
InChIKeyPFPFYYPVSKWCRK-UHFFFAOYSA-N
XLogP1.10
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolan-3-amine
CID 113420901
2-cyclopropyl-3-propyloxolan-3-amine
CID 104510271
2-methyl-3-(2-propylsulfonylethyl)oxolan-3-amine
CID 106733927
2-cyclopropyl-3-heptyloxolan-3-amine
CID 104510276
2-cyclopropyl-3-(2-propoxyethyl)oxolan-3-amine
CID 106459238
[2-cyclopropyl-3-(2-ethylsulfonylethyl)oxolan-3-yl]methanamine
CID 104509499
2-cyclopropyl-3-(2-fluoroethyl)oxolan-3-amine
CID 164649094
2-cyclopropyl-3-(3-methoxy-3-methylbutyl)oxolan-3-amine
CID 103017197
2-cyclopropyl-3-(4-methoxybutyl)oxolan-3-amine
CID 104650505
2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolane-3-carboxylic acid
CID 104509316
2-cyclopropyl-3-(2,2-difluoroethyl)oxolan-3-amine
CID 164655201
[2-cyclopropyl-3-(2-methylsulfonylethyl)oxolan-3-yl]methanamine
CID 104509373

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-propylsulfonylethyl)oxolan-3-amine?
The IUPAC name of 2-cyclopropyl-3-(2-propylsulfonylethyl)oxolan-3-amine (CID 106733925) is 2-cyclopropyl-3-(2-propylsulfonylethyl)oxolan-3-amine.
What is the SMILES notation for 2-cyclopropyl-3-(2-propylsulfonylethyl)oxolan-3-amine?
The canonical SMILES for 2-cyclopropyl-3-(2-propylsulfonylethyl)oxolan-3-amine is CCCS(=O)(=O)CCC1(N)CCOC1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2-propylsulfonylethyl)oxolan-3-amine?
The InChIKey is PFPFYYPVSKWCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-2-8-17(14,15)9-6-12(13)5-7-16-11(12)10-3-4-10/h10-11H,2-9,13H2,1H3.
What are the key properties of 2-cyclopropyl-3-(2-propylsulfonylethyl)oxolan-3-amine?
2-cyclopropyl-3-(2-propylsulfonylethyl)oxolan-3-amine has a molecular weight of 261.39 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-propylsulfonylethyl)oxolan-3-amine is sourced from PubChem (CID 106733925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).