N-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]ethanamine

C13H27NO3S — CID 106729992

IUPACN-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CCS(=O)(=O)C(C)(C)C)CCOC1
InChIInChI=1S/C13H27NO3S/c1-5-14-10-13(6-8-17-11-13)7-9-18(15,16)12(2,3)4/h14H,5-11H2,1-4H3
InChIKeyNBLFBEOKCFDYRL-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.61
Rot. Bonds6

About N-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]ethanamine

N-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]ethanamine (PubChem CID 106729992) has the molecular formula C13H27NO3S and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]ethanamine
PubChem CID106729992
Molecular FormulaC13H27NO3S
Molecular Weight277.43 g/mol
Exact Mass277.17
IUPAC NameN-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CCS(=O)(=O)C(C)(C)C)CCOC1
InChIInChI=1S/C13H27NO3S/c1-5-14-10-13(6-8-17-11-13)7-9-18(15,16)12(2,3)4/h14H,5-11H2,1-4H3
InChIKeyNBLFBEOKCFDYRL-UHFFFAOYSA-N
XLogP1.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]propan-2-amine
CID 106729994
N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]ethanamine
CID 65097129
N-[[3-(2-ethylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62718512
N-[(3-decyloxolan-3-yl)methyl]ethanamine
CID 63502132
2-methyl-N-[[3-(2-methylsulfonylethyl)oxolan-3-yl]methyl]propan-2-amine
CID 62719036
2-methyl-N-[[3-(2-propylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine
CID 106730002
[3-(2-ethylsulfonylethyl)oxolan-3-yl]methanol
CID 66060068
N-[(4-ethyloxan-4-yl)methyl]ethanamine
CID 62907127
N-[[3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methyl]ethanamine
CID 65165659
N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine
CID 62262002
3-(chloromethyl)-3-(2-ethylsulfonylethyl)oxolane
CID 66033231
N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]propan-2-amine
CID 106729852

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]ethanamine (CID 106729992) is N-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]ethanamine is CCNCC1(CCS(=O)(=O)C(C)(C)C)CCOC1.
What is the InChIKey of N-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]ethanamine?
The InChIKey is NBLFBEOKCFDYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3S/c1-5-14-10-13(6-8-17-11-13)7-9-18(15,16)12(2,3)4/h14H,5-11H2,1-4H3.
What are the key properties of N-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]ethanamine?
N-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]ethanamine has a molecular weight of 277.43 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 106729992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).