1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylethanone

C10H18N2O4S — CID 66546918

IUPAC1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H18N2O4S/c13-10(9-11-1-5-16-6-2-11)12-3-7-17(14,15)8-4-12/h1-9H2
InChIKeyRRUYCDQPKLKNRE-UHFFFAOYSA-N
MW262.33 g/mol
LogP-1.42
Rot. Bonds2

About 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylethanone

1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylethanone (PubChem CID 66546918) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylethanone
PubChem CID66546918
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H18N2O4S/c13-10(9-11-1-5-16-6-2-11)12-3-7-17(14,15)8-4-12/h1-9H2
InChIKeyRRUYCDQPKLKNRE-UHFFFAOYSA-N
XLogP-1.42
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-1.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylethanone?
The IUPAC name of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylethanone (CID 66546918) is 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylethanone?
The canonical SMILES for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylethanone is O=C(CN1CCOCC1)N1CCS(=O)(=O)CC1.
What is the InChIKey of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylethanone?
The InChIKey is RRUYCDQPKLKNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c13-10(9-11-1-5-16-6-2-11)12-3-7-17(14,15)8-4-12/h1-9H2.
What are the key properties of 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylethanone?
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylethanone has a molecular weight of 262.33 g/mol, XLogP of -1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-morpholin-4-ylethanone is sourced from PubChem (CID 66546918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).