N-methyl-1-[2-methyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine

C11H23NO3S — CID 114534203

IUPACN-methyl-1-[2-methyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine
SMILESCNCC1(CCCS(C)(=O)=O)CCOC1C
InChIInChI=1S/C11H23NO3S/c1-10-11(9-12-2,6-7-15-10)5-4-8-16(3,13)14/h10,12H,4-9H2,1-3H3
InChIKeyAUDFHJALOMCFJC-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.83
Rot. Bonds6

About N-methyl-1-[2-methyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine

N-methyl-1-[2-methyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine (PubChem CID 114534203) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-methyl-1-[2-methyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-methyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine
PubChem CID114534203
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC NameN-methyl-1-[2-methyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine
SMILESCNCC1(CCCS(C)(=O)=O)CCOC1C
InChIInChI=1S/C11H23NO3S/c1-10-11(9-12-2,6-7-15-10)5-4-8-16(3,13)14/h10,12H,4-9H2,1-3H3
InChIKeyAUDFHJALOMCFJC-UHFFFAOYSA-N
XLogP0.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-1-amine
CID 114534513
N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 114534974
N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534670
1-(3-ethyl-2-methyloxolan-3-yl)-N-methylmethanamine
CID 114534117
N-methyl-1-[3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine
CID 63195699
N-[[2-cyclopropyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 104510106
N-[[3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 114535054
1-[3-(ethoxymethyl)-2-methyloxolan-3-yl]-N-methylmethanamine
CID 114534229
N-[[3-(2-tert-butylsulfonylethyl)-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 106730407
N-[[2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 106730412
N-[(3-butyl-2-methyloxolan-3-yl)methyl]-2-methoxyethanamine
CID 114535216
1-[3-(cyclopropylmethoxymethyl)-2-methyloxolan-3-yl]-N-methylmethanamine
CID 106930994

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-methyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-methyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine (CID 114534203) is N-methyl-1-[2-methyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-methyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-methyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine is CNCC1(CCCS(C)(=O)=O)CCOC1C.
What is the InChIKey of N-methyl-1-[2-methyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine?
The InChIKey is AUDFHJALOMCFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-10-11(9-12-2,6-7-15-10)5-4-8-16(3,13)14/h10,12H,4-9H2,1-3H3.
What are the key properties of N-methyl-1-[2-methyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine?
N-methyl-1-[2-methyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine has a molecular weight of 249.38 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-methyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine is sourced from PubChem (CID 114534203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).