[2-cyclopropyl-3-(2-ethylsulfonylethyl)oxolan-3-yl]methanamine

C12H23NO3S — CID 104509499

IUPAC[2-cyclopropyl-3-(2-ethylsulfonylethyl)oxolan-3-yl]methanamine
SMILESCCS(=O)(=O)CCC1(CN)CCOC1C1CC1
InChIInChI=1S/C12H23NO3S/c1-2-17(14,15)8-6-12(9-13)5-7-16-11(12)10-3-4-10/h10-11H,2-9,13H2,1H3
InChIKeyANTMIUQBHOJQAQ-UHFFFAOYSA-N
MW261.39 g/mol
LogP0.96
Rot. Bonds6

About [2-cyclopropyl-3-(2-ethylsulfonylethyl)oxolan-3-yl]methanamine

[2-cyclopropyl-3-(2-ethylsulfonylethyl)oxolan-3-yl]methanamine (PubChem CID 104509499) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is [2-cyclopropyl-3-(2-ethylsulfonylethyl)oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[2-cyclopropyl-3-(2-ethylsulfonylethyl)oxolan-3-yl]methanamine
PubChem CID104509499
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name[2-cyclopropyl-3-(2-ethylsulfonylethyl)oxolan-3-yl]methanamine
SMILESCCS(=O)(=O)CCC1(CN)CCOC1C1CC1
InChIInChI=1S/C12H23NO3S/c1-2-17(14,15)8-6-12(9-13)5-7-16-11(12)10-3-4-10/h10-11H,2-9,13H2,1H3
InChIKeyANTMIUQBHOJQAQ-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-cyclopropyl-3-(2-ethylsulfonylethyl)oxolan-3-yl]methanamine with MolForge

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

Launch Full Analysis

Related Compounds

[2-cyclopropyl-3-(2-methylsulfonylethyl)oxolan-3-yl]methanamine
CID 104509373
[3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methanamine
CID 114534101
[2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methanamine
CID 104509396
2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolan-3-amine
CID 113420901
2-cyclopropyl-3-(2-propylsulfonylethyl)oxolan-3-amine
CID 106733925
[2-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methanamine
CID 113420837
3-(chloromethyl)-3-(2-ethylsulfonylethyl)-2-methyloxolane
CID 114535793
2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolane-3-carboxylic acid
CID 104509316
[2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methanamine
CID 106730398
(2-cyclopropyl-3-methyloxolan-3-yl)methanamine
CID 75481139
N-[[3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 114535054
[2-cyclopropyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methanamine
CID 102900544

Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-3-(2-ethylsulfonylethyl)oxolan-3-yl]methanamine?
The IUPAC name of [2-cyclopropyl-3-(2-ethylsulfonylethyl)oxolan-3-yl]methanamine (CID 104509499) is [2-cyclopropyl-3-(2-ethylsulfonylethyl)oxolan-3-yl]methanamine.
What is the SMILES notation for [2-cyclopropyl-3-(2-ethylsulfonylethyl)oxolan-3-yl]methanamine?
The canonical SMILES for [2-cyclopropyl-3-(2-ethylsulfonylethyl)oxolan-3-yl]methanamine is CCS(=O)(=O)CCC1(CN)CCOC1C1CC1.
What is the InChIKey of [2-cyclopropyl-3-(2-ethylsulfonylethyl)oxolan-3-yl]methanamine?
The InChIKey is ANTMIUQBHOJQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-2-17(14,15)8-6-12(9-13)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-ethylsulfonylethyl)oxolan-3-yl]methanamine?
[2-cyclopropyl-3-(2-ethylsulfonylethyl)oxolan-3-yl]methanamine has a molecular weight of 261.39 g/mol, XLogP of 0.96, 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-ethylsulfonylethyl)oxolan-3-yl]methanamine is sourced from PubChem (CID 104509499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).