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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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).