N-(2-tert-butylsulfonylethyl)-1-(oxan-4-yl)ethanamine

C13H27NO3S — CID 103902201

IUPACN-(2-tert-butylsulfonylethyl)-1-(oxan-4-yl)ethanamine
SMILESCC(NCCS(=O)(=O)C(C)(C)C)C1CCOCC1
InChIInChI=1S/C13H27NO3S/c1-11(12-5-8-17-9-6-12)14-7-10-18(15,16)13(2,3)4/h11-12,14H,5-10H2,1-4H3
InChIKeySUJCUJKIWHHMOD-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.60
Rot. Bonds5

About N-(2-tert-butylsulfonylethyl)-1-(oxan-4-yl)ethanamine

N-(2-tert-butylsulfonylethyl)-1-(oxan-4-yl)ethanamine (PubChem CID 103902201) has the molecular formula C13H27NO3S and a molecular weight of 277.43 g/mol. Its IUPAC name is N-(2-tert-butylsulfonylethyl)-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-(2-tert-butylsulfonylethyl)-1-(oxan-4-yl)ethanamine
PubChem CID103902201
Molecular FormulaC13H27NO3S
Molecular Weight277.43 g/mol
Exact Mass277.17
IUPAC NameN-(2-tert-butylsulfonylethyl)-1-(oxan-4-yl)ethanamine
SMILESCC(NCCS(=O)(=O)C(C)(C)C)C1CCOCC1
InChIInChI=1S/C13H27NO3S/c1-11(12-5-8-17-9-6-12)14-7-10-18(15,16)13(2,3)4/h11-12,14H,5-10H2,1-4H3
InChIKeySUJCUJKIWHHMOD-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butylsulfonylethyl)-1-cyclopropylethanamine
CID 115677017
3-ethylsulfonyl-N-[1-(oxan-4-yl)ethyl]propan-1-amine
CID 103914759
N-(2-tert-butylsulfonylethyl)-1-(oxolan-2-yl)ethanamine
CID 113423521
4-[1-(oxan-4-yl)ethylamino]butan-2-ol
CID 115720280
N-(2-cyclobutylethyl)-1-(oxan-4-yl)ethanamine
CID 115893382
N-(2-cyclohexylethyl)-1-(oxan-4-yl)ethanamine
CID 113260043
2,2-dimethyl-4-[1-(oxan-4-yl)ethylamino]butanenitrile
CID 103925508
N-(2-methylsulfanylethyl)-1-(oxan-4-yl)ethanamine
CID 115706242
1-(oxan-4-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 103271280
(1R)-1-cyclopentyl-N-(2-ethylsulfonylethyl)ethanamine
CID 81394699
4-methyl-1-[1-(oxan-4-yl)ethylamino]pentan-3-ol
CID 115723515
(1R)-1-cyclohexyl-N-(2-methylsulfonylethyl)ethanamine
CID 81384341

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfonylethyl)-1-(oxan-4-yl)ethanamine?
The IUPAC name of N-(2-tert-butylsulfonylethyl)-1-(oxan-4-yl)ethanamine (CID 103902201) is N-(2-tert-butylsulfonylethyl)-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-(2-tert-butylsulfonylethyl)-1-(oxan-4-yl)ethanamine?
The canonical SMILES for N-(2-tert-butylsulfonylethyl)-1-(oxan-4-yl)ethanamine is CC(NCCS(=O)(=O)C(C)(C)C)C1CCOCC1.
What is the InChIKey of N-(2-tert-butylsulfonylethyl)-1-(oxan-4-yl)ethanamine?
The InChIKey is SUJCUJKIWHHMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3S/c1-11(12-5-8-17-9-6-12)14-7-10-18(15,16)13(2,3)4/h11-12,14H,5-10H2,1-4H3.
What are the key properties of N-(2-tert-butylsulfonylethyl)-1-(oxan-4-yl)ethanamine?
N-(2-tert-butylsulfonylethyl)-1-(oxan-4-yl)ethanamine has a molecular weight of 277.43 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfonylethyl)-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 103902201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).