1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-amine

C8H16N2O2S — CID 47003157

IUPAC1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-amine
SMILESNC1CS(=O)(=O)CC1N1CCCC1
InChIInChI=1S/C8H16N2O2S/c9-7-5-13(11,12)6-8(7)10-3-1-2-4-10/h7-8H,1-6,9H2
InChIKeyJZIIGUJWJPRRRU-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.79
Rot. Bonds1

About 1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-amine

1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-amine (PubChem CID 47003157) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-amine.

Molecular Properties

Compound Name1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-amine
PubChem CID47003157
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-amine
SMILESNC1CS(=O)(=O)CC1N1CCCC1
InChIInChI=1S/C8H16N2O2S/c9-7-5-13(11,12)6-8(7)10-3-1-2-4-10/h7-8H,1-6,9H2
InChIKeyJZIIGUJWJPRRRU-UHFFFAOYSA-N
XLogP-0.79
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-amine?
The IUPAC name of 1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-amine (CID 47003157) is 1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-amine.
What is the SMILES notation for 1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-amine?
The canonical SMILES for 1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-amine is NC1CS(=O)(=O)CC1N1CCCC1.
What is the InChIKey of 1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-amine?
The InChIKey is JZIIGUJWJPRRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c9-7-5-13(11,12)6-8(7)10-3-1-2-4-10/h7-8H,1-6,9H2.
What are the key properties of 1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-amine?
1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-amine has a molecular weight of 204.29 g/mol, XLogP of -0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-amine is sourced from PubChem (CID 47003157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).