2-ethyl-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)oxan-4-amine

C13H27NO3S — CID 79552253

IUPAC2-ethyl-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)oxan-4-amine
SMILESCCC1(C)CC(NCC(C)(C)S(C)(=O)=O)CCO1
InChIInChI=1S/C13H27NO3S/c1-6-13(4)9-11(7-8-17-13)14-10-12(2,3)18(5,15)16/h11,14H,6-10H2,1-5H3
InChIKeyUGCNVXCZZPLLTK-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.75
Rot. Bonds5

About 2-ethyl-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)oxan-4-amine

2-ethyl-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)oxan-4-amine (PubChem CID 79552253) has the molecular formula C13H27NO3S and a molecular weight of 277.43 g/mol. Its IUPAC name is 2-ethyl-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)oxan-4-amine.

Molecular Properties

Compound Name2-ethyl-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)oxan-4-amine
PubChem CID79552253
Molecular FormulaC13H27NO3S
Molecular Weight277.43 g/mol
Exact Mass277.17
IUPAC Name2-ethyl-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)oxan-4-amine
SMILESCCC1(C)CC(NCC(C)(C)S(C)(=O)=O)CCO1
InChIInChI=1S/C13H27NO3S/c1-6-13(4)9-11(7-8-17-13)14-10-12(2,3)18(5,15)16/h11,14H,6-10H2,1-5H3
InChIKeyUGCNVXCZZPLLTK-UHFFFAOYSA-N
XLogP1.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)cyclohexan-1-amine
CID 79551881
2-ethyl-2-methyl-N-(4,4,4-trifluorobutyl)oxan-4-amine
CID 115516369
tert-butyl N-[2-[(2-ethyl-2-methyloxan-4-yl)amino]ethyl]-N-methylcarbamate
CID 107244992
N-(2,2-dimethylpropyl)-2,2-diethyloxan-4-amine
CID 82760396
2-[(2-ethyl-2-methyloxan-4-yl)amino]-2-methylpentanoic acid
CID 65055879
2-ethyl-N-[(2-ethyloxolan-3-yl)methyl]-2-methyloxan-4-amine
CID 114105127
N-cyclopropyl-4-[(2-ethyl-2-methyloxan-4-yl)amino]butanamide
CID 79395003
7,7-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 79558104
tert-butyl N-[1-cyclopropyl-2-[(2-ethyl-2-methyloxan-4-yl)amino]ethyl]carbamate
CID 107243982
3,4-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)cyclohexan-1-amine
CID 79552187
4-ethyl-1-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]cyclohexan-1-ol
CID 65115943
3-[[(2-ethyl-2-methyloxan-4-yl)amino]methyl]hexan-1-ol
CID 106114365

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)oxan-4-amine?
The IUPAC name of 2-ethyl-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)oxan-4-amine (CID 79552253) is 2-ethyl-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)oxan-4-amine.
What is the SMILES notation for 2-ethyl-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)oxan-4-amine?
The canonical SMILES for 2-ethyl-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)oxan-4-amine is CCC1(C)CC(NCC(C)(C)S(C)(=O)=O)CCO1.
What is the InChIKey of 2-ethyl-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)oxan-4-amine?
The InChIKey is UGCNVXCZZPLLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3S/c1-6-13(4)9-11(7-8-17-13)14-10-12(2,3)18(5,15)16/h11,14H,6-10H2,1-5H3.
What are the key properties of 2-ethyl-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)oxan-4-amine?
2-ethyl-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)oxan-4-amine has a molecular weight of 277.43 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)oxan-4-amine is sourced from PubChem (CID 79552253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).