3-morpholin-4-yl-3-pyrrolidin-1-yl-4-thiomorpholin-4-yl-1,4-thiazinane 1,1-dioxide

C16H30N4O3S2 — CID 141136892

IUPAC3-morpholin-4-yl-3-pyrrolidin-1-yl-4-thiomorpholin-4-yl-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(N2CCSCC2)C(N2CCCC2)(N2CCOCC2)C1
InChIInChI=1S/C16H30N4O3S2/c21-25(22)14-9-20(19-7-12-24-13-8-19)16(15-25,17-3-1-2-4-17)18-5-10-23-11-6-18/h1-15H2
InChIKeyFKEOBPAZMFSBHV-UHFFFAOYSA-N
MW390.58 g/mol
LogP-0.24
Rot. Bonds3

About 3-morpholin-4-yl-3-pyrrolidin-1-yl-4-thiomorpholin-4-yl-1,4-thiazinane 1,1-dioxide

3-morpholin-4-yl-3-pyrrolidin-1-yl-4-thiomorpholin-4-yl-1,4-thiazinane 1,1-dioxide (PubChem CID 141136892) has the molecular formula C16H30N4O3S2 and a molecular weight of 390.58 g/mol. Its IUPAC name is 3-morpholin-4-yl-3-pyrrolidin-1-yl-4-thiomorpholin-4-yl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-morpholin-4-yl-3-pyrrolidin-1-yl-4-thiomorpholin-4-yl-1,4-thiazinane 1,1-dioxide
PubChem CID141136892
Molecular FormulaC16H30N4O3S2
Molecular Weight390.58 g/mol
Exact Mass390.18
IUPAC Name3-morpholin-4-yl-3-pyrrolidin-1-yl-4-thiomorpholin-4-yl-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(N2CCSCC2)C(N2CCCC2)(N2CCOCC2)C1
InChIInChI=1S/C16H30N4O3S2/c21-25(22)14-9-20(19-7-12-24-13-8-19)16(15-25,17-3-1-2-4-17)18-5-10-23-11-6-18/h1-15H2
InChIKeyFKEOBPAZMFSBHV-UHFFFAOYSA-N
XLogP-0.24
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.58
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2-morpholin-4-yl-2-thiomorpholin-4-ylpiperidin-1-yl)-1,4-thiazinane 1,1-dioxide
CID 141173735
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-methylmorpholine;4-methyl-1,4-oxazepane;1-methylpyrrolidine;bis(4-methylthiomorpholine)
CID 165009965
[1,1-dioxo-3-(1,4-thiazepan-4-yl)thian-3-yl]methanamine
CID 63922455
4-(thiomorpholin-4-yldisulfanyl)morpholine
CID 59107578
4-piperidin-1-ylthiomorpholine
CID 54433680
4-morpholin-4-ylthiane-4-carboxylic acid
CID 61339323
1,4-oxathiane
CID 157277006
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
N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]thiomorpholine-4-carboximidamide
CID 119146937

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-3-pyrrolidin-1-yl-4-thiomorpholin-4-yl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-morpholin-4-yl-3-pyrrolidin-1-yl-4-thiomorpholin-4-yl-1,4-thiazinane 1,1-dioxide (CID 141136892) is 3-morpholin-4-yl-3-pyrrolidin-1-yl-4-thiomorpholin-4-yl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-morpholin-4-yl-3-pyrrolidin-1-yl-4-thiomorpholin-4-yl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-morpholin-4-yl-3-pyrrolidin-1-yl-4-thiomorpholin-4-yl-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(N2CCSCC2)C(N2CCCC2)(N2CCOCC2)C1.
What is the InChIKey of 3-morpholin-4-yl-3-pyrrolidin-1-yl-4-thiomorpholin-4-yl-1,4-thiazinane 1,1-dioxide?
The InChIKey is FKEOBPAZMFSBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O3S2/c21-25(22)14-9-20(19-7-12-24-13-8-19)16(15-25,17-3-1-2-4-17)18-5-10-23-11-6-18/h1-15H2.
What are the key properties of 3-morpholin-4-yl-3-pyrrolidin-1-yl-4-thiomorpholin-4-yl-1,4-thiazinane 1,1-dioxide?
3-morpholin-4-yl-3-pyrrolidin-1-yl-4-thiomorpholin-4-yl-1,4-thiazinane 1,1-dioxide has a molecular weight of 390.58 g/mol, XLogP of -0.24, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-3-pyrrolidin-1-yl-4-thiomorpholin-4-yl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 141136892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).