5-[(1,1-dioxothian-4-yl)amino]piperidin-2-one

C10H18N2O3S — CID 63663485

IUPAC5-[(1,1-dioxothian-4-yl)amino]piperidin-2-one
SMILESO=C1CCC(NC2CCS(=O)(=O)CC2)CN1
InChIInChI=1S/C10H18N2O3S/c13-10-2-1-9(7-11-10)12-8-3-5-16(14,15)6-4-8/h8-9,12H,1-7H2,(H,11,13)
InChIKeyIOBJZXZZSYOTBA-UHFFFAOYSA-N
MW246.33 g/mol
LogP-0.57
Rot. Bonds2

About 5-[(1,1-dioxothian-4-yl)amino]piperidin-2-one

5-[(1,1-dioxothian-4-yl)amino]piperidin-2-one (PubChem CID 63663485) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 5-[(1,1-dioxothian-4-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name5-[(1,1-dioxothian-4-yl)amino]piperidin-2-one
PubChem CID63663485
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name5-[(1,1-dioxothian-4-yl)amino]piperidin-2-one
SMILESO=C1CCC(NC2CCS(=O)(=O)CC2)CN1
InChIInChI=1S/C10H18N2O3S/c13-10-2-1-9(7-11-10)12-8-3-5-16(14,15)6-4-8/h8-9,12H,1-7H2,(H,11,13)
InChIKeyIOBJZXZZSYOTBA-UHFFFAOYSA-N
XLogP-0.57
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1,1-dioxothian-4-yl)amino]piperidin-2-one?
The IUPAC name of 5-[(1,1-dioxothian-4-yl)amino]piperidin-2-one (CID 63663485) is 5-[(1,1-dioxothian-4-yl)amino]piperidin-2-one.
What is the SMILES notation for 5-[(1,1-dioxothian-4-yl)amino]piperidin-2-one?
The canonical SMILES for 5-[(1,1-dioxothian-4-yl)amino]piperidin-2-one is O=C1CCC(NC2CCS(=O)(=O)CC2)CN1.
What is the InChIKey of 5-[(1,1-dioxothian-4-yl)amino]piperidin-2-one?
The InChIKey is IOBJZXZZSYOTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c13-10-2-1-9(7-11-10)12-8-3-5-16(14,15)6-4-8/h8-9,12H,1-7H2,(H,11,13).
What are the key properties of 5-[(1,1-dioxothian-4-yl)amino]piperidin-2-one?
5-[(1,1-dioxothian-4-yl)amino]piperidin-2-one has a molecular weight of 246.33 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,1-dioxothian-4-yl)amino]piperidin-2-one is sourced from PubChem (CID 63663485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).