N-(2-tert-butylsulfonylethyl)-1-(oxolan-2-yl)ethanamine

C12H25NO3S — CID 113423521

IUPACN-(2-tert-butylsulfonylethyl)-1-(oxolan-2-yl)ethanamine
SMILESCC(NCCS(=O)(=O)C(C)(C)C)C1CCCO1
InChIInChI=1S/C12H25NO3S/c1-10(11-6-5-8-16-11)13-7-9-17(14,15)12(2,3)4/h10-11,13H,5-9H2,1-4H3
InChIKeyYLEIYYPEJICGCR-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.36
Rot. Bonds5

About N-(2-tert-butylsulfonylethyl)-1-(oxolan-2-yl)ethanamine

N-(2-tert-butylsulfonylethyl)-1-(oxolan-2-yl)ethanamine (PubChem CID 113423521) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is N-(2-tert-butylsulfonylethyl)-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-(2-tert-butylsulfonylethyl)-1-(oxolan-2-yl)ethanamine
PubChem CID113423521
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC NameN-(2-tert-butylsulfonylethyl)-1-(oxolan-2-yl)ethanamine
SMILESCC(NCCS(=O)(=O)C(C)(C)C)C1CCCO1
InChIInChI=1S/C12H25NO3S/c1-10(11-6-5-8-16-11)13-7-9-17(14,15)12(2,3)4/h10-11,13H,5-9H2,1-4H3
InChIKeyYLEIYYPEJICGCR-UHFFFAOYSA-N
XLogP1.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butylsulfonylethyl)-1-cyclopropylethanamine
CID 115677017
N-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 79183686
5-[1-(oxolan-2-yl)ethylamino]pentanoic acid
CID 103238581
2,2-dimethoxy-N-[1-(oxolan-2-yl)ethyl]ethanamine
CID 63686991
4-methoxy-N-[1-(oxolan-2-yl)ethyl]butan-1-amine
CID 104531009
N',N'-bis(2-methoxyethyl)-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
CID 62561783
2-(2-tert-butylsulfonylethyl)oxolane
CID 59159510
1-[(2-methylpropan-2-yl)oxy]-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol
CID 54938374
N-[2-(cyclopropylmethoxy)ethyl]-1-(oxolan-2-yl)ethanamine
CID 62599763
N-[2-(4-tert-butylphenyl)sulfanylethyl]-1-(oxolan-2-yl)ethanamine
CID 62579125
N'-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441277
N'-ethyl-N'-(1-methoxypropan-2-yl)-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
CID 62554677

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfonylethyl)-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-(2-tert-butylsulfonylethyl)-1-(oxolan-2-yl)ethanamine (CID 113423521) is N-(2-tert-butylsulfonylethyl)-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-(2-tert-butylsulfonylethyl)-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-(2-tert-butylsulfonylethyl)-1-(oxolan-2-yl)ethanamine is CC(NCCS(=O)(=O)C(C)(C)C)C1CCCO1.
What is the InChIKey of N-(2-tert-butylsulfonylethyl)-1-(oxolan-2-yl)ethanamine?
The InChIKey is YLEIYYPEJICGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-10(11-6-5-8-16-11)13-7-9-17(14,15)12(2,3)4/h10-11,13H,5-9H2,1-4H3.
What are the key properties of N-(2-tert-butylsulfonylethyl)-1-(oxolan-2-yl)ethanamine?
N-(2-tert-butylsulfonylethyl)-1-(oxolan-2-yl)ethanamine has a molecular weight of 263.40 g/mol, XLogP of 1.36, 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-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 113423521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).