1-[3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxan-3-yl]-N-methylmethanamine

C14H28N2O3S2 — CID 66377916

IUPAC1-[3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxan-3-yl]-N-methylmethanamine
SMILESCCS(=O)(=O)C1CSCCN1CC1(CNC)CCCOC1
InChIInChI=1S/C14H28N2O3S2/c1-3-21(17,18)13-9-20-8-6-16(13)11-14(10-15-2)5-4-7-19-12-14/h13,15H,3-12H2,1-2H3
InChIKeyZRECXHHHAZMZBA-UHFFFAOYSA-N
MW336.52 g/mol
LogP0.81
Rot. Bonds6

About 1-[3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxan-3-yl]-N-methylmethanamine

1-[3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxan-3-yl]-N-methylmethanamine (PubChem CID 66377916) has the molecular formula C14H28N2O3S2 and a molecular weight of 336.52 g/mol. Its IUPAC name is 1-[3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxan-3-yl]-N-methylmethanamine
PubChem CID66377916
Molecular FormulaC14H28N2O3S2
Molecular Weight336.52 g/mol
Exact Mass336.15
IUPAC Name1-[3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxan-3-yl]-N-methylmethanamine
SMILESCCS(=O)(=O)C1CSCCN1CC1(CNC)CCCOC1
InChIInChI=1S/C14H28N2O3S2/c1-3-21(17,18)13-9-20-8-6-16(13)11-14(10-15-2)5-4-7-19-12-14/h13,15H,3-12H2,1-2H3
InChIKeyZRECXHHHAZMZBA-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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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxan-3-yl]-N-methylmethanamine (CID 66377916) is 1-[3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxan-3-yl]-N-methylmethanamine is CCS(=O)(=O)C1CSCCN1CC1(CNC)CCCOC1.
What is the InChIKey of 1-[3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxan-3-yl]-N-methylmethanamine?
The InChIKey is ZRECXHHHAZMZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S2/c1-3-21(17,18)13-9-20-8-6-16(13)11-14(10-15-2)5-4-7-19-12-14/h13,15H,3-12H2,1-2H3.
What are the key properties of 1-[3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxan-3-yl]-N-methylmethanamine?
1-[3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxan-3-yl]-N-methylmethanamine 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 1-[3-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]oxan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 66377916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).