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

C11H21NO3S — CID 104509373

IUPAC[2-cyclopropyl-3-(2-methylsulfonylethyl)oxolan-3-yl]methanamine
SMILESCS(=O)(=O)CCC1(CN)CCOC1C1CC1
InChIInChI=1S/C11H21NO3S/c1-16(13,14)7-5-11(8-12)4-6-15-10(11)9-2-3-9/h9-10H,2-8,12H2,1H3
InChIKeyJRPUPIZQQPNDMQ-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.57
Rot. Bonds5

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

[2-cyclopropyl-3-(2-methylsulfonylethyl)oxolan-3-yl]methanamine (PubChem CID 104509373) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is [2-cyclopropyl-3-(2-methylsulfonylethyl)oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[2-cyclopropyl-3-(2-methylsulfonylethyl)oxolan-3-yl]methanamine
PubChem CID104509373
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name[2-cyclopropyl-3-(2-methylsulfonylethyl)oxolan-3-yl]methanamine
SMILESCS(=O)(=O)CCC1(CN)CCOC1C1CC1
InChIInChI=1S/C11H21NO3S/c1-16(13,14)7-5-11(8-12)4-6-15-10(11)9-2-3-9/h9-10H,2-8,12H2,1H3
InChIKeyJRPUPIZQQPNDMQ-UHFFFAOYSA-N
XLogP0.57
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-cyclopropyl-3-(2-ethylsulfonylethyl)oxolan-3-yl]methanamine
CID 104509499
[2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methanamine
CID 104509396
N-[[2-cyclopropyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 104510106
[2-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methanamine
CID 113420837
[3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methanamine
CID 114534101
[2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methanamine
CID 106730398
(2-cyclopropyl-3-methyloxolan-3-yl)methanamine
CID 75481139
2-cyclopropyl-3-(3-ethylsulfonylpropyl)oxolan-3-amine
CID 113420901
2-cyclopropyl-3-(2-propylsulfonylethyl)oxolan-3-amine
CID 106733925
[2-cyclopropyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methanamine
CID 102900544
[3-[(2-chloro-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine
CID 106869658
[2-cyclopropyl-3-[(3,4-difluorophenyl)methyl]oxolan-3-yl]methanamine
CID 104509406

Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-3-(2-methylsulfonylethyl)oxolan-3-yl]methanamine?
The IUPAC name of [2-cyclopropyl-3-(2-methylsulfonylethyl)oxolan-3-yl]methanamine (CID 104509373) is [2-cyclopropyl-3-(2-methylsulfonylethyl)oxolan-3-yl]methanamine.
What is the SMILES notation for [2-cyclopropyl-3-(2-methylsulfonylethyl)oxolan-3-yl]methanamine?
The canonical SMILES for [2-cyclopropyl-3-(2-methylsulfonylethyl)oxolan-3-yl]methanamine is CS(=O)(=O)CCC1(CN)CCOC1C1CC1.
What is the InChIKey of [2-cyclopropyl-3-(2-methylsulfonylethyl)oxolan-3-yl]methanamine?
The InChIKey is JRPUPIZQQPNDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-16(13,14)7-5-11(8-12)4-6-15-10(11)9-2-3-9/h9-10H,2-8,12H2,1H3.
What are the key properties of [2-cyclopropyl-3-(2-methylsulfonylethyl)oxolan-3-yl]methanamine?
[2-cyclopropyl-3-(2-methylsulfonylethyl)oxolan-3-yl]methanamine has a molecular weight of 247.36 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-3-(2-methylsulfonylethyl)oxolan-3-yl]methanamine is sourced from PubChem (CID 104509373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).