N-[[3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxolan-3-yl]methyl]ethanamine

C14H28N2O3S2 — CID 66377147

IUPACN-[[3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCSCC2S(=O)(=O)CC)CCOC1
InChIInChI=1S/C14H28N2O3S2/c1-3-15-10-14(5-7-19-12-14)11-16-6-8-20-9-13(16)21(17,18)4-2/h13,15H,3-12H2,1-2H3
InChIKeyIJSSCHFITYBNQC-UHFFFAOYSA-N
MW336.52 g/mol
LogP0.81
Rot. Bonds7

About N-[[3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxolan-3-yl]methyl]ethanamine

N-[[3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxolan-3-yl]methyl]ethanamine (PubChem CID 66377147) has the molecular formula C14H28N2O3S2 and a molecular weight of 336.52 g/mol. Its IUPAC name is N-[[3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxolan-3-yl]methyl]ethanamine
PubChem CID66377147
Molecular FormulaC14H28N2O3S2
Molecular Weight336.52 g/mol
Exact Mass336.15
IUPAC NameN-[[3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCSCC2S(=O)(=O)CC)CCOC1
InChIInChI=1S/C14H28N2O3S2/c1-3-15-10-14(5-7-19-12-14)11-16-6-8-20-9-13(16)21(17,18)4-2/h13,15H,3-12H2,1-2H3
InChIKeyIJSSCHFITYBNQC-UHFFFAOYSA-N
XLogP0.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxolan-3-yl]methyl]ethanamine (CID 66377147) is N-[[3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxolan-3-yl]methyl]ethanamine is CCNCC1(CN2CCSCC2S(=O)(=O)CC)CCOC1.
What is the InChIKey of N-[[3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxolan-3-yl]methyl]ethanamine?
The InChIKey is IJSSCHFITYBNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S2/c1-3-15-10-14(5-7-19-12-14)11-16-6-8-20-9-13(16)21(17,18)4-2/h13,15H,3-12H2,1-2H3.
What are the key properties of N-[[3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxolan-3-yl]methyl]ethanamine?
N-[[3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxolan-3-yl]methyl]ethanamine has a molecular weight of 336.52 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 66377147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).