N-ethyl-3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxan-4-amine

C14H28N2O3S2 — CID 103060475

IUPACN-ethyl-3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxan-4-amine
SMILESCCNC1CCOCC1CN1CCSCC1S(=O)(=O)CC
InChIInChI=1S/C14H28N2O3S2/c1-3-15-13-5-7-19-10-12(13)9-16-6-8-20-11-14(16)21(17,18)4-2/h12-15H,3-11H2,1-2H3
InChIKeyHMKJJPDIRAYSRZ-UHFFFAOYSA-N
MW336.52 g/mol
LogP0.81
Rot. Bonds6

About N-ethyl-3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxan-4-amine

N-ethyl-3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxan-4-amine (PubChem CID 103060475) has the molecular formula C14H28N2O3S2 and a molecular weight of 336.52 g/mol. Its IUPAC name is N-ethyl-3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxan-4-amine
PubChem CID103060475
Molecular FormulaC14H28N2O3S2
Molecular Weight336.52 g/mol
Exact Mass336.15
IUPAC NameN-ethyl-3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxan-4-amine
SMILESCCNC1CCOCC1CN1CCSCC1S(=O)(=O)CC
InChIInChI=1S/C14H28N2O3S2/c1-3-15-13-5-7-19-10-12(13)9-16-6-8-20-11-14(16)21(17,18)4-2/h12-15H,3-11H2,1-2H3
InChIKeyHMKJJPDIRAYSRZ-UHFFFAOYSA-N
XLogP0.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
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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Related Compounds

N-ethyl-3-[(2-methylazepan-1-yl)methyl]oxan-4-amine
CID 103060277
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-ethyloxan-4-amine
CID 103059310
N-ethyl-3-[(2-ethylpiperidin-1-yl)methyl]oxan-4-amine
CID 103058730
N-[[5-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxolan-2-yl]methyl]ethanamine
CID 66378309
[1-[[4-(ethylamino)oxan-3-yl]methyl]-3-methylpyrrolidin-2-yl]methanol
CID 103061043
1-(3-ethylsulfonylthiomorpholin-4-yl)-N,2-dimethylpropan-2-amine
CID 66377767
3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-ethyloxan-4-amine
CID 103059901
4-(3-ethylsulfonylthiomorpholin-4-yl)-2,3,3-trimethylbutan-2-amine
CID 66376796
N-ethyl-3-[(4-propylpiperidin-1-yl)methyl]oxan-4-amine
CID 103059033
4-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-4-methyloxolan-3-amine
CID 66378347
4-(2-bromoethyl)-3-ethylsulfonylthiomorpholine
CID 66375585
4-(2-chloroethyl)-3-ethylsulfonylthiomorpholine
CID 66378487

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxan-4-amine?
The IUPAC name of N-ethyl-3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxan-4-amine (CID 103060475) is N-ethyl-3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-ethyl-3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxan-4-amine?
The canonical SMILES for N-ethyl-3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxan-4-amine is CCNC1CCOCC1CN1CCSCC1S(=O)(=O)CC.
What is the InChIKey of N-ethyl-3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxan-4-amine?
The InChIKey is HMKJJPDIRAYSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S2/c1-3-15-13-5-7-19-10-12(13)9-16-6-8-20-11-14(16)21(17,18)4-2/h12-15H,3-11H2,1-2H3.
What are the key properties of N-ethyl-3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxan-4-amine?
N-ethyl-3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxan-4-amine has a molecular weight of 336.52 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxan-4-amine is sourced from PubChem (CID 103060475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).