(2R,6R)-2-[5-[(3R,5R)-5-methylthiomorpholin-3-yl]hexan-2-yl]-6-propan-2-ylmorpholine

C18H36N2OS — CID 139310342

IUPAC(2R,6R)-2-[5-[(3R,5R)-5-methylthiomorpholin-3-yl]hexan-2-yl]-6-propan-2-ylmorpholine
SMILESCC(CCC(C)[C@@H]1CNC[C@@H](C(C)C)O1)[C@@H]1CSC[C@@H](C)N1
InChIInChI=1S/C18H36N2OS/c1-12(2)17-8-19-9-18(21-17)14(4)7-6-13(3)16-11-22-10-15(5)20-16/h12-20H,6-11H2,1-5H3/t13?,14?,15-,16+,17+,18+/m1/s1
InChIKeyMDNPIQQGSNWVKA-SAYOKUIWSA-N
MW328.57 g/mol
LogP3.15
Rot. Bonds6

About (2R,6R)-2-[5-[(3R,5R)-5-methylthiomorpholin-3-yl]hexan-2-yl]-6-propan-2-ylmorpholine

(2R,6R)-2-[5-[(3R,5R)-5-methylthiomorpholin-3-yl]hexan-2-yl]-6-propan-2-ylmorpholine (PubChem CID 139310342) has the molecular formula C18H36N2OS and a molecular weight of 328.57 g/mol. Its IUPAC name is (2R,6R)-2-[5-[(3R,5R)-5-methylthiomorpholin-3-yl]hexan-2-yl]-6-propan-2-ylmorpholine.

Molecular Properties

Compound Name(2R,6R)-2-[5-[(3R,5R)-5-methylthiomorpholin-3-yl]hexan-2-yl]-6-propan-2-ylmorpholine
PubChem CID139310342
Molecular FormulaC18H36N2OS
Molecular Weight328.57 g/mol
Exact Mass328.25
IUPAC Name(2R,6R)-2-[5-[(3R,5R)-5-methylthiomorpholin-3-yl]hexan-2-yl]-6-propan-2-ylmorpholine
SMILESCC(CCC(C)[C@@H]1CNC[C@@H](C(C)C)O1)[C@@H]1CSC[C@@H](C)N1
InChIInChI=1S/C18H36N2OS/c1-12(2)17-8-19-9-18(21-17)14(4)7-6-13(3)16-11-22-10-15(5)20-16/h12-20H,6-11H2,1-5H3/t13?,14?,15-,16+,17+,18+/m1/s1
InChIKeyMDNPIQQGSNWVKA-SAYOKUIWSA-N
XLogP3.15
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.57
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2-[5-[(3R,5R)-5-methylthiomorpholin-3-yl]hexan-2-yl]-6-propan-2-ylmorpholine?
The IUPAC name of (2R,6R)-2-[5-[(3R,5R)-5-methylthiomorpholin-3-yl]hexan-2-yl]-6-propan-2-ylmorpholine (CID 139310342) is (2R,6R)-2-[5-[(3R,5R)-5-methylthiomorpholin-3-yl]hexan-2-yl]-6-propan-2-ylmorpholine.
What is the SMILES notation for (2R,6R)-2-[5-[(3R,5R)-5-methylthiomorpholin-3-yl]hexan-2-yl]-6-propan-2-ylmorpholine?
The canonical SMILES for (2R,6R)-2-[5-[(3R,5R)-5-methylthiomorpholin-3-yl]hexan-2-yl]-6-propan-2-ylmorpholine is CC(CCC(C)[C@@H]1CNC[C@@H](C(C)C)O1)[C@@H]1CSC[C@@H](C)N1.
What is the InChIKey of (2R,6R)-2-[5-[(3R,5R)-5-methylthiomorpholin-3-yl]hexan-2-yl]-6-propan-2-ylmorpholine?
The InChIKey is MDNPIQQGSNWVKA-SAYOKUIWSA-N. The full InChI is InChI=1S/C18H36N2OS/c1-12(2)17-8-19-9-18(21-17)14(4)7-6-13(3)16-11-22-10-15(5)20-16/h12-20H,6-11H2,1-5H3/t13?,14?,15-,16+,17+,18+/m1/s1.
What are the key properties of (2R,6R)-2-[5-[(3R,5R)-5-methylthiomorpholin-3-yl]hexan-2-yl]-6-propan-2-ylmorpholine?
(2R,6R)-2-[5-[(3R,5R)-5-methylthiomorpholin-3-yl]hexan-2-yl]-6-propan-2-ylmorpholine has a molecular weight of 328.57 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2-[5-[(3R,5R)-5-methylthiomorpholin-3-yl]hexan-2-yl]-6-propan-2-ylmorpholine is sourced from PubChem (CID 139310342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).