(1,1-dioxothian-2-yl)-piperidin-1-ylmethanone

C11H19NO3S — CID 104520379

IUPAC(1,1-dioxothian-2-yl)-piperidin-1-ylmethanone
SMILESO=C(C1CCCCS1(=O)=O)N1CCCCC1
InChIInChI=1S/C11H19NO3S/c13-11(12-7-3-1-4-8-12)10-6-2-5-9-16(10,14)15/h10H,1-9H2
InChIKeyFBRZGJISEVHUDF-UHFFFAOYSA-N
MW245.34 g/mol
LogP0.97
Rot. Bonds1

About (1,1-dioxothian-2-yl)-piperidin-1-ylmethanone

(1,1-dioxothian-2-yl)-piperidin-1-ylmethanone (PubChem CID 104520379) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is (1,1-dioxothian-2-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(1,1-dioxothian-2-yl)-piperidin-1-ylmethanone
PubChem CID104520379
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name(1,1-dioxothian-2-yl)-piperidin-1-ylmethanone
SMILESO=C(C1CCCCS1(=O)=O)N1CCCCC1
InChIInChI=1S/C11H19NO3S/c13-11(12-7-3-1-4-8-12)10-6-2-5-9-16(10,14)15/h10H,1-9H2
InChIKeyFBRZGJISEVHUDF-UHFFFAOYSA-N
XLogP0.97
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-diazepan-1-yl-(1,1-dioxothian-2-yl)methanone
CID 113421775
(1,1-dioxothian-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224949
1-(1,1-dioxothiane-2-carbonyl)piperidine-4-carbonitrile
CID 113422070
[4-(2-bromoethyl)piperazin-1-yl]-(1,1-dioxothian-2-yl)methanone
CID 113422485
(1,1-dioxothian-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 104520424
(1,1-dioxothian-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 104520828
(1,1-dioxothian-2-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116635971
1-(1,1-dioxothiane-2-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 104517586
(1,1-dioxothian-2-yl)-(3-methylpiperazin-1-yl)methanone
CID 104517859
[(2S)-1,1-dioxothian-2-yl]-[(2R)-2-pyridin-4-ylazepan-1-yl]methanone
CID 97352110
(1,1-dioxothian-4-yl)-piperidin-1-ylmethanone
CID 110848852
cyclohexyl(piperidin-1-yl)methanone
CID 12760854

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothian-2-yl)-piperidin-1-ylmethanone?
The IUPAC name of (1,1-dioxothian-2-yl)-piperidin-1-ylmethanone (CID 104520379) is (1,1-dioxothian-2-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (1,1-dioxothian-2-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (1,1-dioxothian-2-yl)-piperidin-1-ylmethanone is O=C(C1CCCCS1(=O)=O)N1CCCCC1.
What is the InChIKey of (1,1-dioxothian-2-yl)-piperidin-1-ylmethanone?
The InChIKey is FBRZGJISEVHUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c13-11(12-7-3-1-4-8-12)10-6-2-5-9-16(10,14)15/h10H,1-9H2.
What are the key properties of (1,1-dioxothian-2-yl)-piperidin-1-ylmethanone?
(1,1-dioxothian-2-yl)-piperidin-1-ylmethanone has a molecular weight of 245.34 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothian-2-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 104520379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).