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

C8H16N2O2S2 — CID 62048962

IUPAC1,1-dioxo-4-thiomorpholin-4-ylthiolan-3-amine
SMILESNC1CS(=O)(=O)CC1N1CCSCC1
InChIInChI=1S/C8H16N2O2S2/c9-7-5-14(11,12)6-8(7)10-1-3-13-4-2-10/h7-8H,1-6,9H2
InChIKeyDQTQXOPUEBHWNS-UHFFFAOYSA-N
MW236.36 g/mol
LogP-0.84
Rot. Bonds1

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

1,1-dioxo-4-thiomorpholin-4-ylthiolan-3-amine (PubChem CID 62048962) has the molecular formula C8H16N2O2S2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1,1-dioxo-4-thiomorpholin-4-ylthiolan-3-amine.

Molecular Properties

Compound Name1,1-dioxo-4-thiomorpholin-4-ylthiolan-3-amine
PubChem CID62048962
Molecular FormulaC8H16N2O2S2
Molecular Weight236.36 g/mol
Exact Mass236.07
IUPAC Name1,1-dioxo-4-thiomorpholin-4-ylthiolan-3-amine
SMILESNC1CS(=O)(=O)CC1N1CCSCC1
InChIInChI=1S/C8H16N2O2S2/c9-7-5-14(11,12)6-8(7)10-1-3-13-4-2-10/h7-8H,1-6,9H2
InChIKeyDQTQXOPUEBHWNS-UHFFFAOYSA-N
XLogP-0.84
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-4-thiomorpholin-4-ylthiolan-3-amine?
The IUPAC name of 1,1-dioxo-4-thiomorpholin-4-ylthiolan-3-amine (CID 62048962) is 1,1-dioxo-4-thiomorpholin-4-ylthiolan-3-amine.
What is the SMILES notation for 1,1-dioxo-4-thiomorpholin-4-ylthiolan-3-amine?
The canonical SMILES for 1,1-dioxo-4-thiomorpholin-4-ylthiolan-3-amine is NC1CS(=O)(=O)CC1N1CCSCC1.
What is the InChIKey of 1,1-dioxo-4-thiomorpholin-4-ylthiolan-3-amine?
The InChIKey is DQTQXOPUEBHWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S2/c9-7-5-14(11,12)6-8(7)10-1-3-13-4-2-10/h7-8H,1-6,9H2.
What are the key properties of 1,1-dioxo-4-thiomorpholin-4-ylthiolan-3-amine?
1,1-dioxo-4-thiomorpholin-4-ylthiolan-3-amine has a molecular weight of 236.36 g/mol, XLogP of -0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-4-thiomorpholin-4-ylthiolan-3-amine is sourced from PubChem (CID 62048962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).