4-(2-morpholin-4-yl-2-thiomorpholin-4-ylpiperidin-1-yl)-1,4-thiazinane 1,1-dioxide

C17H32N4O3S2 — CID 141173735

IUPAC4-(2-morpholin-4-yl-2-thiomorpholin-4-ylpiperidin-1-yl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(N2CCCCC2(N2CCOCC2)N2CCSCC2)CC1
InChIInChI=1S/C17H32N4O3S2/c22-26(23)15-9-20(10-16-26)21-4-2-1-3-17(21,18-5-11-24-12-6-18)19-7-13-25-14-8-19/h1-16H2
InChIKeyLLLQOADDEPTALD-UHFFFAOYSA-N
MW404.60 g/mol
LogP0.15
Rot. Bonds3

About 4-(2-morpholin-4-yl-2-thiomorpholin-4-ylpiperidin-1-yl)-1,4-thiazinane 1,1-dioxide

4-(2-morpholin-4-yl-2-thiomorpholin-4-ylpiperidin-1-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 141173735) has the molecular formula C17H32N4O3S2 and a molecular weight of 404.60 g/mol. Its IUPAC name is 4-(2-morpholin-4-yl-2-thiomorpholin-4-ylpiperidin-1-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(2-morpholin-4-yl-2-thiomorpholin-4-ylpiperidin-1-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID141173735
Molecular FormulaC17H32N4O3S2
Molecular Weight404.60 g/mol
Exact Mass404.19
IUPAC Name4-(2-morpholin-4-yl-2-thiomorpholin-4-ylpiperidin-1-yl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(N2CCCCC2(N2CCOCC2)N2CCSCC2)CC1
InChIInChI=1S/C17H32N4O3S2/c22-26(23)15-9-20(10-16-26)21-4-2-1-3-17(21,18-5-11-24-12-6-18)19-7-13-25-14-8-19/h1-16H2
InChIKeyLLLQOADDEPTALD-UHFFFAOYSA-N
XLogP0.15
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.60
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-morpholin-4-yl-3-pyrrolidin-1-yl-4-thiomorpholin-4-yl-1,4-thiazinane 1,1-dioxide
CID 141136892
4-methylmorpholine;bis(1-methylpiperidine);4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide;4-methylthiomorpholine
CID 158349393
4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;4-methyl-1,4-thiazinane 1,1-dioxide
CID 160805955
4-(thiomorpholin-4-yldisulfanyl)morpholine
CID 59107578
4-morpholin-4-ylthiane-4-carboxylic acid
CID 61339323
4-methylmorpholine;4-methyl-1,4-oxazepane;1-methylpyrrolidine;bis(4-methylthiomorpholine)
CID 165009965
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
4-[4-(2-morpholin-4-yl-2-thiomorpholin-4-ylthiomorpholin-4-yl)sulfonyl-2-thiomorpholin-4-ylthiomorpholin-2-yl]morpholine
CID 151106919
4-[2-(oxolan-2-yl)-1-piperidin-1-ylpyrrolidin-2-yl]morpholine
CID 141054281
[1,1-dioxo-3-(1,4-thiazepan-4-yl)thian-3-yl]methanamine
CID 63922455
8-morpholin-4-ylspiro[4.5]decane-8-carboxylic acid
CID 114819765
1,4-oxathiane
CID 157277006

Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-yl-2-thiomorpholin-4-ylpiperidin-1-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(2-morpholin-4-yl-2-thiomorpholin-4-ylpiperidin-1-yl)-1,4-thiazinane 1,1-dioxide (CID 141173735) is 4-(2-morpholin-4-yl-2-thiomorpholin-4-ylpiperidin-1-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(2-morpholin-4-yl-2-thiomorpholin-4-ylpiperidin-1-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(2-morpholin-4-yl-2-thiomorpholin-4-ylpiperidin-1-yl)-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(N2CCCCC2(N2CCOCC2)N2CCSCC2)CC1.
What is the InChIKey of 4-(2-morpholin-4-yl-2-thiomorpholin-4-ylpiperidin-1-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is LLLQOADDEPTALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O3S2/c22-26(23)15-9-20(10-16-26)21-4-2-1-3-17(21,18-5-11-24-12-6-18)19-7-13-25-14-8-19/h1-16H2.
What are the key properties of 4-(2-morpholin-4-yl-2-thiomorpholin-4-ylpiperidin-1-yl)-1,4-thiazinane 1,1-dioxide?
4-(2-morpholin-4-yl-2-thiomorpholin-4-ylpiperidin-1-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 404.60 g/mol, XLogP of 0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-yl-2-thiomorpholin-4-ylpiperidin-1-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 141173735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).