[3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methanamine

C10H21NO3S — CID 114534101

IUPAC[3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methanamine
SMILESCCS(=O)(=O)CCC1(CN)CCOC1C
InChIInChI=1S/C10H21NO3S/c1-3-15(12,13)7-5-10(8-11)4-6-14-9(10)2/h9H,3-8,11H2,1-2H3
InChIKeyDXNCWKAFVPHQIQ-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.57
Rot. Bonds5

About [3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methanamine

[3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methanamine (PubChem CID 114534101) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is [3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methanamine
PubChem CID114534101
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name[3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methanamine
SMILESCCS(=O)(=O)CCC1(CN)CCOC1C
InChIInChI=1S/C10H21NO3S/c1-3-15(12,13)7-5-10(8-11)4-6-14-9(10)2/h9H,3-8,11H2,1-2H3
InChIKeyDXNCWKAFVPHQIQ-UHFFFAOYSA-N
XLogP0.57
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(Methanesulfonylmethyl)oxan-4-yl]methanamine
CID 71757365
[1,1-Dioxo-3-[2-(2,2,2-trifluoroethoxy)ethyl]thiolan-3-yl]methanamine
CID 78992041
N-methyl-1-[3-[2-(3-methylbutoxy)ethyl]-1,1-dioxothiolan-3-yl]methanamine
CID 55106544
N-[[3-(2-butoxyethyl)-1,1-dioxothiolan-3-yl]methyl]ethanamine
CID 55106737
N-[[1,1-dioxo-3-(2-propan-2-yloxyethyl)thiolan-3-yl]methyl]propan-1-amine
CID 55106834
N-[[1,1-dioxo-3-(2-propan-2-yloxyethyl)thiolan-3-yl]methyl]propan-2-amine
CID 55106885
N-[[3-(2-ethoxyethyl)-1,1-dioxothiolan-3-yl]methyl]propan-1-amine
CID 55209602
N-[[3-(2-ethylsulfonylethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 62718206
N-[[3-(2-methylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62718349
N-[[3-(2-ethylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62718512
N-[[3-(2-methylsulfonylethyl)oxolan-3-yl]methyl]ethanamine
CID 62719014
N-[[3-(2-ethylsulfonylethyl)oxolan-3-yl]methyl]ethanamine
CID 62719015

Frequently Asked Questions

What is the IUPAC name of [3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methanamine?
The IUPAC name of [3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methanamine (CID 114534101) is [3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methanamine.
What is the SMILES notation for [3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methanamine?
The canonical SMILES for [3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methanamine is CCS(=O)(=O)CCC1(CN)CCOC1C.
What is the InChIKey of [3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methanamine?
The InChIKey is DXNCWKAFVPHQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-3-15(12,13)7-5-10(8-11)4-6-14-9(10)2/h9H,3-8,11H2,1-2H3.
What are the key properties of [3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methanamine?
[3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methanamine has a molecular weight of 235.35 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 [3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methanamine is sourced from PubChem (CID 114534101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).