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

C62H125N9O12S4 — CID 159806500

IUPAC5-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
SMILESCC1CCCCO1.CC1CCCCO1.CC1CCCO1.CC1CCOCC1.CC1NC(=O)NC1=O.CN1C(=O)CSC1=O.CN1CCCC1.CN1CCCCC1.CN1CCOCC1.CN1CCS(=O)(=O)CC1.CN1CCS(=O)CC1.CN1CCSCC1
InChIInChI=1S/C6H13N.3C6H12O.C5H11NO2S.C5H11NOS.C5H11NO.C5H11NS.C5H11N.C5H10O.C4H6N2O2.C4H5NO2S/c1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;2*1-6-4-2-3-5-7-6;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;1-6-4-2-3-5-6;1-5-3-2-4-6-5;1-2-3(7)6-4(8)5-2;1-5-3(6)2-8-4(5)7/h2-6H2,1H3;3*6H,2-5H2,1H3;2-5H2,1H3;2-5H2,1H3;2*2-5H2,1H3;2-5H2,1H3;5H,2-4H2,1H3;2H,1H3,(H2,5,6,7,8);2H2,1H3
InChIKeyNKLRKOGNXSDFJS-UHFFFAOYSA-N
MW1317.00 g/mol
LogP6.75
Rot. Bonds

About 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

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 (PubChem CID 159806500) has the molecular formula C62H125N9O12S4 and a molecular weight of 1317.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID159806500
Molecular FormulaC62H125N9O12S4
Molecular Weight1317.00 g/mol
Exact Mass1315.83
IUPAC Name5-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
SMILESCC1CCCCO1.CC1CCCCO1.CC1CCCO1.CC1CCOCC1.CC1NC(=O)NC1=O.CN1C(=O)CSC1=O.CN1CCCC1.CN1CCCCC1.CN1CCOCC1.CN1CCS(=O)(=O)CC1.CN1CCS(=O)CC1.CN1CCSCC1
InChIInChI=1S/C6H13N.3C6H12O.C5H11NO2S.C5H11NOS.C5H11NO.C5H11NS.C5H11N.C5H10O.C4H6N2O2.C4H5NO2S/c1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;2*1-6-4-2-3-5-7-6;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;1-6-4-2-3-5-6;1-5-3-2-4-6-5;1-2-3(7)6-4(8)5-2;1-5-3(6)2-8-4(5)7/h2-6H2,1H3;3*6H,2-5H2,1H3;2-5H2,1H3;2-5H2,1H3;2*2-5H2,1H3;2-5H2,1H3;5H,2-4H2,1H3;2H,1H3,(H2,5,6,7,8);2H2,1H3
InChIKeyNKLRKOGNXSDFJS-UHFFFAOYSA-N
XLogP6.75
TPSA212.38 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001317.00
LogP ≤ 56.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
methane;methylcyclohexane;2-methyl-1,4-dioxane;2-methyloxane;pentakis(1-methylpiperidine);1-methylpyrrolidine;5-methylpyrrolidine-2,4-dione;3-methyl-1,3-thiazolidine-2,4-dione
CID 159396415
4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;4-methyl-1,4-thiazinane 1,1-dioxide
CID 160805955
2-methyloxolane;1-methylpiperidine
CID 164525198
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
ethane;methylcyclohexane;4-methyl-1,4-thiazinane 1,1-dioxide
CID 143646922
4-methylmorpholine;4-methyl-1,4-oxazepane;1-methylpyrrolidine;bis(4-methylthiomorpholine)
CID 165009965
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
1,2-dimethylcyclohexan-1-amine;4-methylmorpholine
CID 67592701

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CCCCO1.CC1CCCCO1.CC1CCCO1.CC1CCOCC1.CC1NC(=O)NC1=O.CN1C(=O)CSC1=O.CN1CCCC1.CN1CCCCC1.CN1CCOCC1.CN1CCS(=O)(=O)CC1.CN1CCS(=O)CC1.CN1CCSCC1.
What is the InChIKey of 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?
The InChIKey is NKLRKOGNXSDFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.3C6H12O.C5H11NO2S.C5H11NOS.C5H11NO.C5H11NS.C5H11N.C5H10O.C4H6N2O2.C4H5NO2S/c1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;2*1-6-4-2-3-5-7-6;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;1-6-4-2-3-5-6;1-5-3-2-4-6-5;1-2-3(7)6-4(8)5-2;1-5-3(6)2-8-4(5)7/h2-6H2,1H3;3*6H,2-5H2,1H3;2-5H2,1H3;2-5H2,1H3;2*2-5H2,1H3;2-5H2,1H3;5H,2-4H2,1H3;2H,1H3,(H2,5,6,7,8);2H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1317.00 g/mol, XLogP of 6.75, 0 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159806500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).