4-ethenyl-1,1-dihydroxy-1,4-thiazinane;formaldehyde

C7H15NO3S — CID 143269441

IUPAC4-ethenyl-1,1-dihydroxy-1,4-thiazinane;formaldehyde
SMILESC=CN1CCS(O)(O)CC1.C=O
InChIInChI=1S/C6H13NO2S.CH2O/c1-2-7-3-5-10(8,9)6-4-7;1-2/h2,8-9H,1,3-6H2;1H2
InChIKeyMTEBTQOFSIDOTR-UHFFFAOYSA-N
MW193.27 g/mol
LogP1.01
Rot. Bonds1

About 4-ethenyl-1,1-dihydroxy-1,4-thiazinane;formaldehyde

4-ethenyl-1,1-dihydroxy-1,4-thiazinane;formaldehyde (PubChem CID 143269441) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 4-ethenyl-1,1-dihydroxy-1,4-thiazinane;formaldehyde.

Molecular Properties

Compound Name4-ethenyl-1,1-dihydroxy-1,4-thiazinane;formaldehyde
PubChem CID143269441
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name4-ethenyl-1,1-dihydroxy-1,4-thiazinane;formaldehyde
SMILESC=CN1CCS(O)(O)CC1.C=O
InChIInChI=1S/C6H13NO2S.CH2O/c1-2-7-3-5-10(8,9)6-4-7;1-2/h2,8-9H,1,3-6H2;1H2
InChIKeyMTEBTQOFSIDOTR-UHFFFAOYSA-N
XLogP1.01
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Ethenyl-1,1-dihydroxy-1,4-thiazinane
CID 143269442

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1,1-dihydroxy-1,4-thiazinane;formaldehyde?
The IUPAC name of 4-ethenyl-1,1-dihydroxy-1,4-thiazinane;formaldehyde (CID 143269441) is 4-ethenyl-1,1-dihydroxy-1,4-thiazinane;formaldehyde.
What is the SMILES notation for 4-ethenyl-1,1-dihydroxy-1,4-thiazinane;formaldehyde?
The canonical SMILES for 4-ethenyl-1,1-dihydroxy-1,4-thiazinane;formaldehyde is C=CN1CCS(O)(O)CC1.C=O.
What is the InChIKey of 4-ethenyl-1,1-dihydroxy-1,4-thiazinane;formaldehyde?
The InChIKey is MTEBTQOFSIDOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S.CH2O/c1-2-7-3-5-10(8,9)6-4-7;1-2/h2,8-9H,1,3-6H2;1H2.
What are the key properties of 4-ethenyl-1,1-dihydroxy-1,4-thiazinane;formaldehyde?
4-ethenyl-1,1-dihydroxy-1,4-thiazinane;formaldehyde has a molecular weight of 193.27 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1,1-dihydroxy-1,4-thiazinane;formaldehyde is sourced from PubChem (CID 143269441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).