3-[(1,1-dioxothian-4-yl)amino]piperidin-2-one

C10H18N2O3S — CID 62093934

IUPAC3-[(1,1-dioxothian-4-yl)amino]piperidin-2-one
SMILESO=C1NCCCC1NC1CCS(=O)(=O)CC1
InChIInChI=1S/C10H18N2O3S/c13-10-9(2-1-5-11-10)12-8-3-6-16(14,15)7-4-8/h8-9,12H,1-7H2,(H,11,13)
InChIKeyAFCQNXBIOOMQKB-UHFFFAOYSA-N
MW246.33 g/mol
LogP-0.57
Rot. Bonds2

About 3-[(1,1-dioxothian-4-yl)amino]piperidin-2-one

3-[(1,1-dioxothian-4-yl)amino]piperidin-2-one (PubChem CID 62093934) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 3-[(1,1-dioxothian-4-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name3-[(1,1-dioxothian-4-yl)amino]piperidin-2-one
PubChem CID62093934
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name3-[(1,1-dioxothian-4-yl)amino]piperidin-2-one
SMILESO=C1NCCCC1NC1CCS(=O)(=O)CC1
InChIInChI=1S/C10H18N2O3S/c13-10-9(2-1-5-11-10)12-8-3-6-16(14,15)7-4-8/h8-9,12H,1-7H2,(H,11,13)
InChIKeyAFCQNXBIOOMQKB-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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Related Compounds

3-[(1,1-dioxothian-3-yl)amino]azepan-2-one
CID 63910098
3-[(4-tert-butylcyclohexyl)amino]piperidin-2-one
CID 62092650
3-[(3,5-dimethylcyclohexyl)amino]piperidin-2-one
CID 64751431
3-[(1-methylazetidin-3-yl)amino]azepan-2-one
CID 127013470
3-[(3-methylcyclohexyl)amino]piperidin-2-one
CID 62092837
3-(oxepan-4-ylamino)azepan-2-one
CID 65081835
3-(1-oxaspiro[5.5]undecan-4-ylamino)piperidin-2-one
CID 79895755
(3R)-3-[[(3S)-2-oxopiperidin-3-yl]amino]pyrrolidine-2,5-dione
CID 94349911
(3R)-3-[[(3R)-thiolan-3-yl]amino]azepan-2-one
CID 30982772
3-(spiro[3.5]nonan-3-ylamino)piperidin-2-one
CID 102951791
3-(2,3-dihydro-1H-inden-2-ylamino)azepan-2-one
CID 3844156
(3R)-3-[[(1R,3S)-3-methylcyclohexyl]amino]azepan-2-one
CID 40501731

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothian-4-yl)amino]piperidin-2-one?
The IUPAC name of 3-[(1,1-dioxothian-4-yl)amino]piperidin-2-one (CID 62093934) is 3-[(1,1-dioxothian-4-yl)amino]piperidin-2-one.
What is the SMILES notation for 3-[(1,1-dioxothian-4-yl)amino]piperidin-2-one?
The canonical SMILES for 3-[(1,1-dioxothian-4-yl)amino]piperidin-2-one is O=C1NCCCC1NC1CCS(=O)(=O)CC1.
What is the InChIKey of 3-[(1,1-dioxothian-4-yl)amino]piperidin-2-one?
The InChIKey is AFCQNXBIOOMQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c13-10-9(2-1-5-11-10)12-8-3-6-16(14,15)7-4-8/h8-9,12H,1-7H2,(H,11,13).
What are the key properties of 3-[(1,1-dioxothian-4-yl)amino]piperidin-2-one?
3-[(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 3-[(1,1-dioxothian-4-yl)amino]piperidin-2-one is sourced from PubChem (CID 62093934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).