3-ethyl-2-(3-ethylsulfonylthiomorpholin-4-yl)pentan-1-amine

C13H28N2O2S2 — CID 66381953

IUPAC3-ethyl-2-(3-ethylsulfonylthiomorpholin-4-yl)pentan-1-amine
SMILESCCC(CC)C(CN)N1CCSCC1S(=O)(=O)CC
InChIInChI=1S/C13H28N2O2S2/c1-4-11(5-2)12(9-14)15-7-8-18-10-13(15)19(16,17)6-3/h11-13H,4-10,14H2,1-3H3
InChIKeyMINCJYWGENXTKC-UHFFFAOYSA-N
MW308.51 g/mol
LogP1.56
Rot. Bonds7

About 3-ethyl-2-(3-ethylsulfonylthiomorpholin-4-yl)pentan-1-amine

3-ethyl-2-(3-ethylsulfonylthiomorpholin-4-yl)pentan-1-amine (PubChem CID 66381953) has the molecular formula C13H28N2O2S2 and a molecular weight of 308.51 g/mol. Its IUPAC name is 3-ethyl-2-(3-ethylsulfonylthiomorpholin-4-yl)pentan-1-amine.

Molecular Properties

Compound Name3-ethyl-2-(3-ethylsulfonylthiomorpholin-4-yl)pentan-1-amine
PubChem CID66381953
Molecular FormulaC13H28N2O2S2
Molecular Weight308.51 g/mol
Exact Mass308.16
IUPAC Name3-ethyl-2-(3-ethylsulfonylthiomorpholin-4-yl)pentan-1-amine
SMILESCCC(CC)C(CN)N1CCSCC1S(=O)(=O)CC
InChIInChI=1S/C13H28N2O2S2/c1-4-11(5-2)12(9-14)15-7-8-18-10-13(15)19(16,17)6-3/h11-13H,4-10,14H2,1-3H3
InChIKeyMINCJYWGENXTKC-UHFFFAOYSA-N
XLogP1.56
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-ethylsulfonylthiomorpholin-4-yl)nonan-1-amine
CID 66383124
2-(3-ethylsulfonylthiomorpholin-4-yl)butanethioamide
CID 66384091
methyl 3-amino-2-(3-ethylsulfonylthiomorpholin-4-yl)propanoate
CID 66381764
2-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]butan-1-amine
CID 66376993
2-(3-ethylsulfonylthiomorpholin-4-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 66375986
ethyl 2-(3-ethylsulfonylthiomorpholin-4-yl)propanoate
CID 66378086
2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(4-fluorophenyl)ethanamine
CID 66383882
2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 66383878
2-(3-ethylsulfonylthiomorpholin-4-yl)propanehydrazide
CID 66377938
2-(3-ethylsulfonylthiomorpholin-4-yl)-2-(5-ethylthiophen-2-yl)ethanamine
CID 66383126
1-(3-ethylsulfonylthiomorpholin-4-yl)-1-phenylpropan-2-amine
CID 66382331
3-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylpropan-1-one
CID 66378329

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(3-ethylsulfonylthiomorpholin-4-yl)pentan-1-amine?
The IUPAC name of 3-ethyl-2-(3-ethylsulfonylthiomorpholin-4-yl)pentan-1-amine (CID 66381953) is 3-ethyl-2-(3-ethylsulfonylthiomorpholin-4-yl)pentan-1-amine.
What is the SMILES notation for 3-ethyl-2-(3-ethylsulfonylthiomorpholin-4-yl)pentan-1-amine?
The canonical SMILES for 3-ethyl-2-(3-ethylsulfonylthiomorpholin-4-yl)pentan-1-amine is CCC(CC)C(CN)N1CCSCC1S(=O)(=O)CC.
What is the InChIKey of 3-ethyl-2-(3-ethylsulfonylthiomorpholin-4-yl)pentan-1-amine?
The InChIKey is MINCJYWGENXTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S2/c1-4-11(5-2)12(9-14)15-7-8-18-10-13(15)19(16,17)6-3/h11-13H,4-10,14H2,1-3H3.
What are the key properties of 3-ethyl-2-(3-ethylsulfonylthiomorpholin-4-yl)pentan-1-amine?
3-ethyl-2-(3-ethylsulfonylthiomorpholin-4-yl)pentan-1-amine has a molecular weight of 308.51 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(3-ethylsulfonylthiomorpholin-4-yl)pentan-1-amine is sourced from PubChem (CID 66381953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).