(1,1-dioxothian-4-yl)-morpholin-4-ylmethanone

C10H17NO4S — CID 110849366

IUPAC(1,1-dioxothian-4-yl)-morpholin-4-ylmethanone
SMILESO=C(C1CCS(=O)(=O)CC1)N1CCOCC1
InChIInChI=1S/C10H17NO4S/c12-10(11-3-5-15-6-4-11)9-1-7-16(13,14)8-2-9/h9H,1-8H2
InChIKeyVAEFCDGISJDLAY-UHFFFAOYSA-N
MW247.32 g/mol
LogP-0.33
Rot. Bonds1

About (1,1-dioxothian-4-yl)-morpholin-4-ylmethanone

(1,1-dioxothian-4-yl)-morpholin-4-ylmethanone (PubChem CID 110849366) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is (1,1-dioxothian-4-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(1,1-dioxothian-4-yl)-morpholin-4-ylmethanone
PubChem CID110849366
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name(1,1-dioxothian-4-yl)-morpholin-4-ylmethanone
SMILESO=C(C1CCS(=O)(=O)CC1)N1CCOCC1
InChIInChI=1S/C10H17NO4S/c12-10(11-3-5-15-6-4-11)9-1-7-16(13,14)8-2-9/h9H,1-8H2
InChIKeyVAEFCDGISJDLAY-UHFFFAOYSA-N
XLogP-0.33
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1,1-dioxothian-4-yl)-piperidin-1-ylmethanone
CID 110848852
cyclopropyl-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 110346881
1-[4-(1,1-dioxothiane-4-carbonyl)piperazin-1-yl]ethanone
CID 110850378
aziridin-1-yl-(1,1-dioxothiolan-3-yl)methanone
CID 130667300
1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 109146746
4-(1,1-dioxothiane-4-carbonyl)piperazine-1-carbaldehyde
CID 110850182
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55467380
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(morpholine-4-carbonyl)cyclohexane-1-carboxamide
CID 109146781
(1,1-dioxothian-4-yl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 97144388
4-(1,4-oxazepane-4-carbonyl)cyclohexane-1-carboxylic acid
CID 63783007
(1-tert-butylpiperidin-4-yl)-morpholin-4-ylmethanone
CID 21061611
(4-tert-butylcyclohexyl)-morpholin-4-ylmethanone;ethane
CID 164918983

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothian-4-yl)-morpholin-4-ylmethanone?
The IUPAC name of (1,1-dioxothian-4-yl)-morpholin-4-ylmethanone (CID 110849366) is (1,1-dioxothian-4-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (1,1-dioxothian-4-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (1,1-dioxothian-4-yl)-morpholin-4-ylmethanone is O=C(C1CCS(=O)(=O)CC1)N1CCOCC1.
What is the InChIKey of (1,1-dioxothian-4-yl)-morpholin-4-ylmethanone?
The InChIKey is VAEFCDGISJDLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c12-10(11-3-5-15-6-4-11)9-1-7-16(13,14)8-2-9/h9H,1-8H2.
What are the key properties of (1,1-dioxothian-4-yl)-morpholin-4-ylmethanone?
(1,1-dioxothian-4-yl)-morpholin-4-ylmethanone has a molecular weight of 247.32 g/mol, XLogP of -0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothian-4-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 110849366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).