(3S,4S)-1,1-dioxothiolane-3,4-diamine

C4H10N2O2S — CID 2049142

IUPAC(3S,4S)-1,1-dioxothiolane-3,4-diamine
SMILESN[C@@H]1CS(=O)(=O)C[C@H]1N
InChIInChI=1S/C4H10N2O2S/c5-3-1-9(7,8)2-4(3)6/h3-4H,1-2,5-6H2/t3-,4-/m1/s1
InChIKeySHSRKYMXSFBHOU-QWWZWVQMSA-N
MW150.20 g/mol
LogP-1.93
Rot. Bonds

About (3S,4S)-1,1-dioxothiolane-3,4-diamine

(3S,4S)-1,1-dioxothiolane-3,4-diamine (PubChem CID 2049142) has the molecular formula C4H10N2O2S and a molecular weight of 150.20 g/mol. Its IUPAC name is (3S,4S)-1,1-dioxothiolane-3,4-diamine.

Molecular Properties

Compound Name(3S,4S)-1,1-dioxothiolane-3,4-diamine
PubChem CID2049142
Molecular FormulaC4H10N2O2S
Molecular Weight150.20 g/mol
Exact Mass150.05
IUPAC Name(3S,4S)-1,1-dioxothiolane-3,4-diamine
SMILESN[C@@H]1CS(=O)(=O)C[C@H]1N
InChIInChI=1S/C4H10N2O2S/c5-3-1-9(7,8)2-4(3)6/h3-4H,1-2,5-6H2/t3-,4-/m1/s1
InChIKeySHSRKYMXSFBHOU-QWWZWVQMSA-N
XLogP-1.93
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 5-1.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1,1-dioxothiolane-3,4-diamine?
The IUPAC name of (3S,4S)-1,1-dioxothiolane-3,4-diamine (CID 2049142) is (3S,4S)-1,1-dioxothiolane-3,4-diamine.
What is the SMILES notation for (3S,4S)-1,1-dioxothiolane-3,4-diamine?
The canonical SMILES for (3S,4S)-1,1-dioxothiolane-3,4-diamine is N[C@@H]1CS(=O)(=O)C[C@H]1N.
What is the InChIKey of (3S,4S)-1,1-dioxothiolane-3,4-diamine?
The InChIKey is SHSRKYMXSFBHOU-QWWZWVQMSA-N. The full InChI is InChI=1S/C4H10N2O2S/c5-3-1-9(7,8)2-4(3)6/h3-4H,1-2,5-6H2/t3-,4-/m1/s1.
What are the key properties of (3S,4S)-1,1-dioxothiolane-3,4-diamine?
(3S,4S)-1,1-dioxothiolane-3,4-diamine has a molecular weight of 150.20 g/mol, XLogP of -1.93, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1,1-dioxothiolane-3,4-diamine is sourced from PubChem (CID 2049142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).