1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine

C10H20N2O2S — CID 62133246

IUPAC1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine
SMILESNC1CCN(CC2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C10H20N2O2S/c11-10-1-4-12(5-2-10)7-9-3-6-15(13,14)8-9/h9-10H,1-8,11H2
InChIKeyOBVBOQPMKHVDIV-UHFFFAOYSA-N
MW232.35 g/mol
LogP-0.16
Rot. Bonds2

About 1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine

1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine (PubChem CID 62133246) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine
PubChem CID62133246
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine
SMILESNC1CCN(CC2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C10H20N2O2S/c11-10-1-4-12(5-2-10)7-9-3-6-15(13,14)8-9/h9-10H,1-8,11H2
InChIKeyOBVBOQPMKHVDIV-UHFFFAOYSA-N
XLogP-0.16
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine (CID 62133246) is 1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine is NC1CCN(CC2CCS(=O)(=O)C2)CC1.
What is the InChIKey of 1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine?
The InChIKey is OBVBOQPMKHVDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c11-10-1-4-12(5-2-10)7-9-3-6-15(13,14)8-9/h9-10H,1-8,11H2.
What are the key properties of 1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine?
1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine has a molecular weight of 232.35 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 62133246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).