(1,1-dioxo-3-piperidin-1-ylthietan-3-yl)methanamine

C9H18N2O2S — CID 105473181

IUPAC(1,1-dioxo-3-piperidin-1-ylthietan-3-yl)methanamine
SMILESNCC1(N2CCCCC2)CS(=O)(=O)C1
InChIInChI=1S/C9H18N2O2S/c10-6-9(7-14(12,13)8-9)11-4-2-1-3-5-11/h1-8,10H2
InChIKeyCWXJNSDQEKCISD-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.40
Rot. Bonds2

About (1,1-dioxo-3-piperidin-1-ylthietan-3-yl)methanamine

(1,1-dioxo-3-piperidin-1-ylthietan-3-yl)methanamine (PubChem CID 105473181) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is (1,1-dioxo-3-piperidin-1-ylthietan-3-yl)methanamine.

Molecular Properties

Compound Name(1,1-dioxo-3-piperidin-1-ylthietan-3-yl)methanamine
PubChem CID105473181
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name(1,1-dioxo-3-piperidin-1-ylthietan-3-yl)methanamine
SMILESNCC1(N2CCCCC2)CS(=O)(=O)C1
InChIInChI=1S/C9H18N2O2S/c10-6-9(7-14(12,13)8-9)11-4-2-1-3-5-11/h1-8,10H2
InChIKeyCWXJNSDQEKCISD-UHFFFAOYSA-N
XLogP-0.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-3-piperidin-1-ylthietan-3-yl)methanamine?
The IUPAC name of (1,1-dioxo-3-piperidin-1-ylthietan-3-yl)methanamine (CID 105473181) is (1,1-dioxo-3-piperidin-1-ylthietan-3-yl)methanamine.
What is the SMILES notation for (1,1-dioxo-3-piperidin-1-ylthietan-3-yl)methanamine?
The canonical SMILES for (1,1-dioxo-3-piperidin-1-ylthietan-3-yl)methanamine is NCC1(N2CCCCC2)CS(=O)(=O)C1.
What is the InChIKey of (1,1-dioxo-3-piperidin-1-ylthietan-3-yl)methanamine?
The InChIKey is CWXJNSDQEKCISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c10-6-9(7-14(12,13)8-9)11-4-2-1-3-5-11/h1-8,10H2.
What are the key properties of (1,1-dioxo-3-piperidin-1-ylthietan-3-yl)methanamine?
(1,1-dioxo-3-piperidin-1-ylthietan-3-yl)methanamine has a molecular weight of 218.32 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-3-piperidin-1-ylthietan-3-yl)methanamine is sourced from PubChem (CID 105473181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).