N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine

C15H31NO3S — CID 114534974

IUPACN-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCCS(=O)(=O)CCCC1(CNC(C)(C)C)CCOC1C
InChIInChI=1S/C15H31NO3S/c1-6-20(17,18)11-7-8-15(9-10-19-13(15)2)12-16-14(3,4)5/h13,16H,6-12H2,1-5H3
InChIKeyDATKEFVFZWJCEX-UHFFFAOYSA-N
MW305.48 g/mol
LogP2.38
Rot. Bonds7

About N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine

N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 114534974) has the molecular formula C15H31NO3S and a molecular weight of 305.48 g/mol. Its IUPAC name is N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID114534974
Molecular FormulaC15H31NO3S
Molecular Weight305.48 g/mol
Exact Mass305.20
IUPAC NameN-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCCS(=O)(=O)CCCC1(CNC(C)(C)C)CCOC1C
InChIInChI=1S/C15H31NO3S/c1-6-20(17,18)11-7-8-15(9-10-19-13(15)2)12-16-14(3,4)5/h13,16H,6-12H2,1-5H3
InChIKeyDATKEFVFZWJCEX-UHFFFAOYSA-N
XLogP2.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.48
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 114535054
N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-1-amine
CID 114534513
N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534670
2-methyl-N-[[2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-yl]methyl]propan-2-amine
CID 114535029
N-methyl-1-[2-methyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine
CID 114534203
[3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methanamine
CID 114534101
3-(chloromethyl)-3-(2-ethylsulfonylethyl)-2-methyloxolane
CID 114535793
N-[[3-(2-tert-butylsulfonylethyl)-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 106730407
N-(3-ethylsulfonylpropyl)-2,3-dimethyloxolan-3-amine
CID 103581413
2-methyl-N-[[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]propan-2-amine
CID 106706226
N-[[3-[(3,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 105408565
N-[(3-butyl-2-methyloxolan-3-yl)methyl]-2-methoxyethanamine
CID 114535216

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine (CID 114534974) is N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine is CCS(=O)(=O)CCCC1(CNC(C)(C)C)CCOC1C.
What is the InChIKey of N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is DATKEFVFZWJCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3S/c1-6-20(17,18)11-7-8-15(9-10-19-13(15)2)12-16-14(3,4)5/h13,16H,6-12H2,1-5H3.
What are the key properties of N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 305.48 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114534974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).