4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;4-methyl-1,4-thiazinane 1,1-dioxide

C21H46N4O3S — CID 160805955

IUPAC4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;4-methyl-1,4-thiazinane 1,1-dioxide
SMILESCN1CCCC1.CN1CCCCC1.CN1CCOCC1.CN1CCS(=O)(=O)CC1
InChIInChI=1S/C6H13N.C5H11NO2S.C5H11NO.C5H11N/c1-7-5-3-2-4-6-7;1-6-2-4-9(7,8)5-3-6;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6/h2-6H2,1H3;2-5H2,1H3;2-5H2,1H3;2-5H2,1H3
InChIKeySDRRAGHTSNOYOY-UHFFFAOYSA-N
MW434.69 g/mol
LogP1.11
Rot. Bonds

About 4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;4-methyl-1,4-thiazinane 1,1-dioxide

4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;4-methyl-1,4-thiazinane 1,1-dioxide (PubChem CID 160805955) has the molecular formula C21H46N4O3S and a molecular weight of 434.69 g/mol. Its IUPAC name is 4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;4-methyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;4-methyl-1,4-thiazinane 1,1-dioxide
PubChem CID160805955
Molecular FormulaC21H46N4O3S
Molecular Weight434.69 g/mol
Exact Mass434.33
IUPAC Name4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;4-methyl-1,4-thiazinane 1,1-dioxide
SMILESCN1CCCC1.CN1CCCCC1.CN1CCOCC1.CN1CCS(=O)(=O)CC1
InChIInChI=1S/C6H13N.C5H11NO2S.C5H11NO.C5H11N/c1-7-5-3-2-4-6-7;1-6-2-4-9(7,8)5-3-6;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6/h2-6H2,1H3;2-5H2,1H3;2-5H2,1H3;2-5H2,1H3
InChIKeySDRRAGHTSNOYOY-UHFFFAOYSA-N
XLogP1.11
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.69
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-methylmorpholine;bis(1-methylpiperidine);4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide;4-methylthiomorpholine
CID 158349393
1,4-dimethylpiperazine;methanamine;4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine
CID 158044460
6-methyl-1-oxa-6-azacycloundecane
CID 123668114
7-methyl-1,4,7-dioxazecane
CID 59020799
5-methyl-1-oxa-5-azacycloundecane
CID 123548674
19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane
CID 6612303
ethane;4-methylmorpholine
CID 54432133
methane;4-methylmorpholine;1-methylpiperidine;1-methylpyrrole-2,5-dione;1-methylpyrrolidine
CID 158818111
lithium;4-methylmorpholine;chloride
CID 172748649
1-methylpiperidine;tris(2-methylpropane);1-methylpyrrolidine;oxane
CID 160567217
1-methylpiperidine;4-propan-2-ylmorpholine
CID 176969911
1-ethylpiperidine;4-methylmorpholine
CID 70445137

Frequently Asked Questions

What is the IUPAC name of 4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;4-methyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;4-methyl-1,4-thiazinane 1,1-dioxide (CID 160805955) is 4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;4-methyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;4-methyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;4-methyl-1,4-thiazinane 1,1-dioxide is CN1CCCC1.CN1CCCCC1.CN1CCOCC1.CN1CCS(=O)(=O)CC1.
What is the InChIKey of 4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;4-methyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is SDRRAGHTSNOYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C5H11NO2S.C5H11NO.C5H11N/c1-7-5-3-2-4-6-7;1-6-2-4-9(7,8)5-3-6;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6/h2-6H2,1H3;2-5H2,1H3;2-5H2,1H3;2-5H2,1H3.
What are the key properties of 4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;4-methyl-1,4-thiazinane 1,1-dioxide?
4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;4-methyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 434.69 g/mol, XLogP of 1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;4-methyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 160805955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).