1-ethylsulfonylethane;1,3,5-triazine

C7H13N3O2S — CID 160830785

IUPAC1-ethylsulfonylethane;1,3,5-triazine
SMILESCCS(=O)(=O)CC.c1ncncn1
InChIInChI=1S/C4H10O2S.C3H3N3/c1-3-7(5,6)4-2;1-4-2-6-3-5-1/h3-4H2,1-2H3;1-3H
InChIKeySGTRTCFUXSTYPM-UHFFFAOYSA-N
MW203.27 g/mol
LogP0.31
Rot. Bonds2

About 1-ethylsulfonylethane;1,3,5-triazine

1-ethylsulfonylethane;1,3,5-triazine (PubChem CID 160830785) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 1-ethylsulfonylethane;1,3,5-triazine.

Molecular Properties

Compound Name1-ethylsulfonylethane;1,3,5-triazine
PubChem CID160830785
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name1-ethylsulfonylethane;1,3,5-triazine
SMILESCCS(=O)(=O)CC.c1ncncn1
InChIInChI=1S/C4H10O2S.C3H3N3/c1-3-7(5,6)4-2;1-4-2-6-3-5-1/h3-4H2,1-2H3;1-3H
InChIKeySGTRTCFUXSTYPM-UHFFFAOYSA-N
XLogP0.31
TPSA72.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;methane;propane;1,3,5-triazine
CID 159481307
1-ethylsulfonylethane;sulfur trioxide
CID 159641357
1-ethylsulfonylethane;methoxymethane
CID 174793539
ethoxyethane;1,3,5-triazine
CID 69406478
methanamine;1,3,5-triazine
CID 174563601
ethane-1,2-diamine;1-ethylsulfonylethane
CID 88712876
CID 70576982
CID 70576982
CID 67430871
CID 67430871
propane;bis(pyrimidine)
CID 91609456
acetonitrile;1-ethylsulfonylethane
CID 158338907
4-ethylsulfonyl-1-pyrimidin-5-ylbutan-1-amine
CID 102923473
methanesulfonic acid;pyrimidine
CID 19894525

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonylethane;1,3,5-triazine?
The IUPAC name of 1-ethylsulfonylethane;1,3,5-triazine (CID 160830785) is 1-ethylsulfonylethane;1,3,5-triazine.
What is the SMILES notation for 1-ethylsulfonylethane;1,3,5-triazine?
The canonical SMILES for 1-ethylsulfonylethane;1,3,5-triazine is CCS(=O)(=O)CC.c1ncncn1.
What is the InChIKey of 1-ethylsulfonylethane;1,3,5-triazine?
The InChIKey is SGTRTCFUXSTYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2S.C3H3N3/c1-3-7(5,6)4-2;1-4-2-6-3-5-1/h3-4H2,1-2H3;1-3H.
What are the key properties of 1-ethylsulfonylethane;1,3,5-triazine?
1-ethylsulfonylethane;1,3,5-triazine has a molecular weight of 203.27 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonylethane;1,3,5-triazine is sourced from PubChem (CID 160830785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).