N-[(3S,4S)-1,1-dioxo-4-sulfanylthiolan-3-yl]formamide

C5H9NO3S2 — CID 99976981

IUPACN-[(3S,4S)-1,1-dioxo-4-sulfanylthiolan-3-yl]formamide
SMILESO=CN[C@H]1CS(=O)(=O)C[C@H]1S
InChIInChI=1S/C5H9NO3S2/c7-3-6-4-1-11(8,9)2-5(4)10/h3-5,10H,1-2H2,(H,6,7)/t4-,5+/m0/s1
InChIKeyLEFQWZNPCOQFBD-CRCLSJGQSA-N
MW195.26 g/mol
LogP-1.17
Rot. Bonds2

About N-[(3S,4S)-1,1-dioxo-4-sulfanylthiolan-3-yl]formamide

N-[(3S,4S)-1,1-dioxo-4-sulfanylthiolan-3-yl]formamide (PubChem CID 99976981) has the molecular formula C5H9NO3S2 and a molecular weight of 195.26 g/mol. Its IUPAC name is N-[(3S,4S)-1,1-dioxo-4-sulfanylthiolan-3-yl]formamide.

Molecular Properties

Compound NameN-[(3S,4S)-1,1-dioxo-4-sulfanylthiolan-3-yl]formamide
PubChem CID99976981
Molecular FormulaC5H9NO3S2
Molecular Weight195.26 g/mol
Exact Mass195.00
IUPAC NameN-[(3S,4S)-1,1-dioxo-4-sulfanylthiolan-3-yl]formamide
SMILESO=CN[C@H]1CS(=O)(=O)C[C@H]1S
InChIInChI=1S/C5H9NO3S2/c7-3-6-4-1-11(8,9)2-5(4)10/h3-5,10H,1-2H2,(H,6,7)/t4-,5+/m0/s1
InChIKeyLEFQWZNPCOQFBD-CRCLSJGQSA-N
XLogP-1.17
TPSA63.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1,1-dioxo-4-sulfanylthiolan-3-yl]formamide?
The IUPAC name of N-[(3S,4S)-1,1-dioxo-4-sulfanylthiolan-3-yl]formamide (CID 99976981) is N-[(3S,4S)-1,1-dioxo-4-sulfanylthiolan-3-yl]formamide.
What is the SMILES notation for N-[(3S,4S)-1,1-dioxo-4-sulfanylthiolan-3-yl]formamide?
The canonical SMILES for N-[(3S,4S)-1,1-dioxo-4-sulfanylthiolan-3-yl]formamide is O=CN[C@H]1CS(=O)(=O)C[C@H]1S.
What is the InChIKey of N-[(3S,4S)-1,1-dioxo-4-sulfanylthiolan-3-yl]formamide?
The InChIKey is LEFQWZNPCOQFBD-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H9NO3S2/c7-3-6-4-1-11(8,9)2-5(4)10/h3-5,10H,1-2H2,(H,6,7)/t4-,5+/m0/s1.
What are the key properties of N-[(3S,4S)-1,1-dioxo-4-sulfanylthiolan-3-yl]formamide?
N-[(3S,4S)-1,1-dioxo-4-sulfanylthiolan-3-yl]formamide has a molecular weight of 195.26 g/mol, XLogP of -1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1,1-dioxo-4-sulfanylthiolan-3-yl]formamide is sourced from PubChem (CID 99976981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).