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

C14H29NO3S — CID 114535054

IUPACN-[[3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCCS(=O)(=O)CCC1(CNC(C)(C)C)CCOC1C
InChIInChI=1S/C14H29NO3S/c1-6-19(16,17)10-8-14(7-9-18-12(14)2)11-15-13(3,4)5/h12,15H,6-11H2,1-5H3
InChIKeyHHCPWJXEWHQISH-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.99
Rot. Bonds6

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

N-[[3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 114535054) has the molecular formula C14H29NO3S and a molecular weight of 291.46 g/mol. Its IUPAC name is N-[[3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID114535054
Molecular FormulaC14H29NO3S
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC NameN-[[3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCCS(=O)(=O)CCC1(CNC(C)(C)C)CCOC1C
InChIInChI=1S/C14H29NO3S/c1-6-19(16,17)10-8-14(7-9-18-12(14)2)11-15-13(3,4)5/h12,15H,6-11H2,1-5H3
InChIKeyHHCPWJXEWHQISH-UHFFFAOYSA-N
XLogP1.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 114534974
3-(chloromethyl)-3-(2-ethylsulfonylethyl)-2-methyloxolane
CID 114535793
[3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methanamine
CID 114534101
2-methyl-N-[[2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-yl]methyl]propan-2-amine
CID 114535029
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
N-[[3-(2-tert-butylsulfonylethyl)-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 106730407
2-methyl-N-[[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]propan-2-amine
CID 106706226
N-methyl-1-[2-methyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine
CID 114534203
N-[[3-[(3,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 105408565
N-[[2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 106730412
[2-cyclopropyl-3-(2-ethylsulfonylethyl)oxolan-3-yl]methanamine
CID 104509499

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine (CID 114535054) is N-[[3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine is CCS(=O)(=O)CCC1(CNC(C)(C)C)CCOC1C.
What is the InChIKey of N-[[3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is HHCPWJXEWHQISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3S/c1-6-19(16,17)10-8-14(7-9-18-12(14)2)11-15-13(3,4)5/h12,15H,6-11H2,1-5H3.
What are the key properties of N-[[3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 291.46 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114535054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).