6-methyl-5-morpholin-4-yl-3,6-dihydro-2H-thiopyran 1,1-dioxide

C10H17NO3S — CID 13115077

IUPAC6-methyl-5-morpholin-4-yl-3,6-dihydro-2H-thiopyran 1,1-dioxide
SMILESCC1C(N2CCOCC2)=CCCS1(=O)=O
InChIInChI=1S/C10H17NO3S/c1-9-10(3-2-8-15(9,12)13)11-4-6-14-7-5-11/h3,9H,2,4-8H2,1H3
InChIKeyWDSWSCXVTBWGDV-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.41
Rot. Bonds1

About 6-methyl-5-morpholin-4-yl-3,6-dihydro-2H-thiopyran 1,1-dioxide

6-methyl-5-morpholin-4-yl-3,6-dihydro-2H-thiopyran 1,1-dioxide (PubChem CID 13115077) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 6-methyl-5-morpholin-4-yl-3,6-dihydro-2H-thiopyran 1,1-dioxide.

Molecular Properties

Compound Name6-methyl-5-morpholin-4-yl-3,6-dihydro-2H-thiopyran 1,1-dioxide
PubChem CID13115077
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name6-methyl-5-morpholin-4-yl-3,6-dihydro-2H-thiopyran 1,1-dioxide
SMILESCC1C(N2CCOCC2)=CCCS1(=O)=O
InChIInChI=1S/C10H17NO3S/c1-9-10(3-2-8-15(9,12)13)11-4-6-14-7-5-11/h3,9H,2,4-8H2,1H3
InChIKeyWDSWSCXVTBWGDV-UHFFFAOYSA-N
XLogP0.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-morpholin-4-yl-3,6-dihydro-2H-thiopyran 1,1-dioxide?
The IUPAC name of 6-methyl-5-morpholin-4-yl-3,6-dihydro-2H-thiopyran 1,1-dioxide (CID 13115077) is 6-methyl-5-morpholin-4-yl-3,6-dihydro-2H-thiopyran 1,1-dioxide.
What is the SMILES notation for 6-methyl-5-morpholin-4-yl-3,6-dihydro-2H-thiopyran 1,1-dioxide?
The canonical SMILES for 6-methyl-5-morpholin-4-yl-3,6-dihydro-2H-thiopyran 1,1-dioxide is CC1C(N2CCOCC2)=CCCS1(=O)=O.
What is the InChIKey of 6-methyl-5-morpholin-4-yl-3,6-dihydro-2H-thiopyran 1,1-dioxide?
The InChIKey is WDSWSCXVTBWGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-9-10(3-2-8-15(9,12)13)11-4-6-14-7-5-11/h3,9H,2,4-8H2,1H3.
What are the key properties of 6-methyl-5-morpholin-4-yl-3,6-dihydro-2H-thiopyran 1,1-dioxide?
6-methyl-5-morpholin-4-yl-3,6-dihydro-2H-thiopyran 1,1-dioxide has a molecular weight of 231.32 g/mol, XLogP of 0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-morpholin-4-yl-3,6-dihydro-2H-thiopyran 1,1-dioxide is sourced from PubChem (CID 13115077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).