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

C12H23NO3S — CID 113420901

IUPAC2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolan-3-amine
SMILESCCS(=O)(=O)CCCC1(N)CCOC1C1CC1
InChIInChI=1S/C12H23NO3S/c1-2-17(14,15)9-3-6-12(13)7-8-16-11(12)10-4-5-10/h10-11H,2-9,13H2,1H3
InChIKeyDJZAVOKYYQBTOW-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.10
Rot. Bonds6

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

2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolan-3-amine (PubChem CID 113420901) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolan-3-amine
PubChem CID113420901
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolan-3-amine
SMILESCCS(=O)(=O)CCCC1(N)CCOC1C1CC1
InChIInChI=1S/C12H23NO3S/c1-2-17(14,15)9-3-6-12(13)7-8-16-11(12)10-4-5-10/h10-11H,2-9,13H2,1H3
InChIKeyDJZAVOKYYQBTOW-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

Analyze 2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolan-3-amine?
The IUPAC name of 2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolan-3-amine (CID 113420901) is 2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolan-3-amine.
What is the SMILES notation for 2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolan-3-amine?
The canonical SMILES for 2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolan-3-amine is CCS(=O)(=O)CCCC1(N)CCOC1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolan-3-amine?
The InChIKey is DJZAVOKYYQBTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-2-17(14,15)9-3-6-12(13)7-8-16-11(12)10-4-5-10/h10-11H,2-9,13H2,1H3.
What are the key properties of 2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolan-3-amine?
2-cyclopropyl-3-(3-ethylsulfonylpropyl)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-(3-ethylsulfonylpropyl)oxolan-3-amine is sourced from PubChem (CID 113420901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).