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

C11H19NO3S — CID 110848852

IUPAC(1,1-dioxothian-4-yl)-piperidin-1-ylmethanone
SMILESO=C(C1CCS(=O)(=O)CC1)N1CCCCC1
InChIInChI=1S/C11H19NO3S/c13-11(12-6-2-1-3-7-12)10-4-8-16(14,15)9-5-10/h10H,1-9H2
InChIKeyHEPGYVCXYAWHIZ-UHFFFAOYSA-N
MW245.34 g/mol
LogP0.82
Rot. Bonds1

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

(1,1-dioxothian-4-yl)-piperidin-1-ylmethanone (PubChem CID 110848852) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is (1,1-dioxothian-4-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(1,1-dioxothian-4-yl)-piperidin-1-ylmethanone
PubChem CID110848852
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name(1,1-dioxothian-4-yl)-piperidin-1-ylmethanone
SMILESO=C(C1CCS(=O)(=O)CC1)N1CCCCC1
InChIInChI=1S/C11H19NO3S/c13-11(12-6-2-1-3-7-12)10-4-8-16(14,15)9-5-10/h10H,1-9H2
InChIKeyHEPGYVCXYAWHIZ-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1,1-dioxothiane-4-carbonyl)piperazin-1-yl]ethanone
CID 110850378
aziridin-1-yl-(1,1-dioxothiolan-3-yl)methanone
CID 130667300
(1,1-dioxothian-4-yl)-morpholin-4-ylmethanone
CID 110849366
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
4-(1,1-dioxothiane-4-carbonyl)piperazine-1-carbaldehyde
CID 110850182
(1,1-dioxothian-4-yl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 97144388
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
(3-aminopiperidin-1-yl)-(1,1-dioxothiolan-3-yl)methanone
CID 61295519
(3-bromopiperidin-1-yl)-(1,1-dioxothiolan-3-yl)methanone
CID 80659982
azepan-1-yl(thian-4-yl)methanone
CID 110856329

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothian-4-yl)-piperidin-1-ylmethanone?
The IUPAC name of (1,1-dioxothian-4-yl)-piperidin-1-ylmethanone (CID 110848852) is (1,1-dioxothian-4-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (1,1-dioxothian-4-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (1,1-dioxothian-4-yl)-piperidin-1-ylmethanone is O=C(C1CCS(=O)(=O)CC1)N1CCCCC1.
What is the InChIKey of (1,1-dioxothian-4-yl)-piperidin-1-ylmethanone?
The InChIKey is HEPGYVCXYAWHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c13-11(12-6-2-1-3-7-12)10-4-8-16(14,15)9-5-10/h10H,1-9H2.
What are the key properties of (1,1-dioxothian-4-yl)-piperidin-1-ylmethanone?
(1,1-dioxothian-4-yl)-piperidin-1-ylmethanone has a molecular weight of 245.34 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothian-4-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 110848852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).