4-methylmorpholine;bis(1-methylpiperidine);4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide;4-methylthiomorpholine

C32H70N6O4S3 — CID 158349393

IUPAC4-methylmorpholine;bis(1-methylpiperidine);4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide;4-methylthiomorpholine
SMILESCN1CCCCC1.CN1CCCCC1.CN1CCOCC1.CN1CCS(=O)(=O)CC1.CN1CCS(=O)CC1.CN1CCSCC1
InChIInChI=1S/2C6H13N.C5H11NO2S.C5H11NOS.C5H11NO.C5H11NS/c2*1-7-5-3-2-4-6-7;1-6-2-4-9(7,8)5-3-6;1-6-2-4-8(7)5-3-6;2*1-6-2-4-7-5-3-6/h2*2-6H2,1H3;2-5H2,1H3;2-5H2,1H3;2*2-5H2,1H3
InChIKeyGSDBHBZBEPJIMP-UHFFFAOYSA-N
MW699.15 g/mol
LogP1.84
Rot. Bonds

About 4-methylmorpholine;bis(1-methylpiperidine);4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide;4-methylthiomorpholine

4-methylmorpholine;bis(1-methylpiperidine);4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide;4-methylthiomorpholine (PubChem CID 158349393) has the molecular formula C32H70N6O4S3 and a molecular weight of 699.15 g/mol. Its IUPAC name is 4-methylmorpholine;bis(1-methylpiperidine);4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide;4-methylthiomorpholine.

Molecular Properties

Compound Name4-methylmorpholine;bis(1-methylpiperidine);4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide;4-methylthiomorpholine
PubChem CID158349393
Molecular FormulaC32H70N6O4S3
Molecular Weight699.15 g/mol
Exact Mass698.46
IUPAC Name4-methylmorpholine;bis(1-methylpiperidine);4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide;4-methylthiomorpholine
SMILESCN1CCCCC1.CN1CCCCC1.CN1CCOCC1.CN1CCS(=O)(=O)CC1.CN1CCS(=O)CC1.CN1CCSCC1
InChIInChI=1S/2C6H13N.C5H11NO2S.C5H11NOS.C5H11NO.C5H11NS/c2*1-7-5-3-2-4-6-7;1-6-2-4-9(7,8)5-3-6;1-6-2-4-8(7)5-3-6;2*1-6-2-4-7-5-3-6/h2*2-6H2,1H3;2-5H2,1H3;2-5H2,1H3;2*2-5H2,1H3
InChIKeyGSDBHBZBEPJIMP-UHFFFAOYSA-N
XLogP1.84
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.15
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;4-methyl-1,4-thiazinane 1,1-dioxide
CID 160805955
4-methylmorpholine;4-methyl-1,4-oxazepane;1-methylpyrrolidine;bis(4-methylthiomorpholine)
CID 165009965
5-methylimidazolidine-2,4-dione;4-methylmorpholine;bis(2-methyloxane);4-methyloxane;2-methyloxolane;1-methylpiperidine;1-methylpyrrolidine;4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide;3-methyl-1,3-thiazolidine-2,4-dione;4-methylthiomorpholine
CID 159806500
dimethylamino acetate;(1,1-dioxo-1,4-thiazinan-4-yl) acetate;bis(1-methoxy-4-methylpiperazine);4-methoxymorpholine;1-methoxypiperidine;1-methoxypyrrolidine;4-methoxy-1,4-thiazinane 1,1-dioxide;4-methoxy-1,4-thiazinane 1-oxide;4-methoxythiomorpholine;bis((4-methylpiperazin-1-yl) acetate);morpholin-4-yl acetate;(1-oxo-1,4-thiazinan-4-yl) acetate;piperidin-1-yl acetate;pyrrolidin-1-yl acetate;thiomorpholin-4-yl acetate
CID 160971307
1,4-dimethylpiperazine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;4-methylthiomorpholine
CID 159858771
1-methylazepane;1-methyl-1,4-diazepane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine
CID 157410523
ethane;methane;4-methyl-1,4-thiazinane 1-oxide;4-methylthiomorpholine;1,4-thiazinane 1-oxide
CID 159889654
N,N-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide;N,N-dimethylmorpholine-4-sulfonamide;N,N-dimethylpyrrolidine-1-sulfonamide;N,N-dimethylthiomorpholine-4-sulfonamide;N,N,4-trimethyl-1,4-diazepane-1-sulfonamide;N,N,4-trimethylpiperazine-1-sulfonamide;N,N,4-trimethylpiperidine-1-sulfonamide
CID 158277585
1,4-dimethylpiperazine;methanamine;4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine
CID 158044460
6-methyl-1-oxa-6-azacycloundecane
CID 123668114
4-(2-morpholin-4-yl-2-thiomorpholin-4-ylpiperidin-1-yl)-1,4-thiazinane 1,1-dioxide
CID 141173735
4-methylthiomorpholine
CID 523249

Frequently Asked Questions

What is the IUPAC name of 4-methylmorpholine;bis(1-methylpiperidine);4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide;4-methylthiomorpholine?
The IUPAC name of 4-methylmorpholine;bis(1-methylpiperidine);4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide;4-methylthiomorpholine (CID 158349393) is 4-methylmorpholine;bis(1-methylpiperidine);4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide;4-methylthiomorpholine.
What is the SMILES notation for 4-methylmorpholine;bis(1-methylpiperidine);4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide;4-methylthiomorpholine?
The canonical SMILES for 4-methylmorpholine;bis(1-methylpiperidine);4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide;4-methylthiomorpholine is CN1CCCCC1.CN1CCCCC1.CN1CCOCC1.CN1CCS(=O)(=O)CC1.CN1CCS(=O)CC1.CN1CCSCC1.
What is the InChIKey of 4-methylmorpholine;bis(1-methylpiperidine);4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide;4-methylthiomorpholine?
The InChIKey is GSDBHBZBEPJIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H13N.C5H11NO2S.C5H11NOS.C5H11NO.C5H11NS/c2*1-7-5-3-2-4-6-7;1-6-2-4-9(7,8)5-3-6;1-6-2-4-8(7)5-3-6;2*1-6-2-4-7-5-3-6/h2*2-6H2,1H3;2-5H2,1H3;2-5H2,1H3;2*2-5H2,1H3.
What are the key properties of 4-methylmorpholine;bis(1-methylpiperidine);4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide;4-methylthiomorpholine?
4-methylmorpholine;bis(1-methylpiperidine);4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide;4-methylthiomorpholine has a molecular weight of 699.15 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylmorpholine;bis(1-methylpiperidine);4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide;4-methylthiomorpholine is sourced from PubChem (CID 158349393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).