2-[(3S)-1,1-dioxothiolan-3-yl]-1-morpholin-4-ylethanone

C10H17NO4S — CID 7197442

IUPAC2-[(3S)-1,1-dioxothiolan-3-yl]-1-morpholin-4-ylethanone
SMILESO=C(C[C@H]1CCS(=O)(=O)C1)N1CCOCC1
InChIInChI=1S/C10H17NO4S/c12-10(11-2-4-15-5-3-11)7-9-1-6-16(13,14)8-9/h9H,1-8H2/t9-/m1/s1
InChIKeyNMDNPUDWHUYQRP-SECBINFHSA-N
MW247.32 g/mol
LogP-0.33
Rot. Bonds2

About 2-[(3S)-1,1-dioxothiolan-3-yl]-1-morpholin-4-ylethanone

2-[(3S)-1,1-dioxothiolan-3-yl]-1-morpholin-4-ylethanone (PubChem CID 7197442) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-[(3S)-1,1-dioxothiolan-3-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(3S)-1,1-dioxothiolan-3-yl]-1-morpholin-4-ylethanone
PubChem CID7197442
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name2-[(3S)-1,1-dioxothiolan-3-yl]-1-morpholin-4-ylethanone
SMILESO=C(C[C@H]1CCS(=O)(=O)C1)N1CCOCC1
InChIInChI=1S/C10H17NO4S/c12-10(11-2-4-15-5-3-11)7-9-1-6-16(13,14)8-9/h9H,1-8H2/t9-/m1/s1
InChIKeyNMDNPUDWHUYQRP-SECBINFHSA-N
XLogP-0.33
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1,1-dioxothiolan-3-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(3S)-1,1-dioxothiolan-3-yl]-1-morpholin-4-ylethanone (CID 7197442) is 2-[(3S)-1,1-dioxothiolan-3-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(3S)-1,1-dioxothiolan-3-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(3S)-1,1-dioxothiolan-3-yl]-1-morpholin-4-ylethanone is O=C(C[C@H]1CCS(=O)(=O)C1)N1CCOCC1.
What is the InChIKey of 2-[(3S)-1,1-dioxothiolan-3-yl]-1-morpholin-4-ylethanone?
The InChIKey is NMDNPUDWHUYQRP-SECBINFHSA-N. The full InChI is InChI=1S/C10H17NO4S/c12-10(11-2-4-15-5-3-11)7-9-1-6-16(13,14)8-9/h9H,1-8H2/t9-/m1/s1.
What are the key properties of 2-[(3S)-1,1-dioxothiolan-3-yl]-1-morpholin-4-ylethanone?
2-[(3S)-1,1-dioxothiolan-3-yl]-1-morpholin-4-ylethanone has a molecular weight of 247.32 g/mol, XLogP of -0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1,1-dioxothiolan-3-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 7197442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).