1-(2-ethylsulfonylethyl)-1,3,3-trimethylurea

C8H18N2O3S — CID 171037364

IUPAC1-(2-ethylsulfonylethyl)-1,3,3-trimethylurea
SMILESCCS(=O)(=O)CCN(C)C(=O)N(C)C
InChIInChI=1S/C8H18N2O3S/c1-5-14(12,13)7-6-10(4)8(11)9(2)3/h5-7H2,1-4H3
InChIKeyUOXRWMXCKRZTCY-UHFFFAOYSA-N
MW222.31 g/mol
LogP0.03
Rot. Bonds4

About 1-(2-ethylsulfonylethyl)-1,3,3-trimethylurea

1-(2-ethylsulfonylethyl)-1,3,3-trimethylurea (PubChem CID 171037364) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-(2-ethylsulfonylethyl)-1,3,3-trimethylurea.

Molecular Properties

Compound Name1-(2-ethylsulfonylethyl)-1,3,3-trimethylurea
PubChem CID171037364
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name1-(2-ethylsulfonylethyl)-1,3,3-trimethylurea
SMILESCCS(=O)(=O)CCN(C)C(=O)N(C)C
InChIInChI=1S/C8H18N2O3S/c1-5-14(12,13)7-6-10(4)8(11)9(2)3/h5-7H2,1-4H3
InChIKeyUOXRWMXCKRZTCY-UHFFFAOYSA-N
XLogP0.03
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylethyl)-1,3,3-trimethylurea?
The IUPAC name of 1-(2-ethylsulfonylethyl)-1,3,3-trimethylurea (CID 171037364) is 1-(2-ethylsulfonylethyl)-1,3,3-trimethylurea.
What is the SMILES notation for 1-(2-ethylsulfonylethyl)-1,3,3-trimethylurea?
The canonical SMILES for 1-(2-ethylsulfonylethyl)-1,3,3-trimethylurea is CCS(=O)(=O)CCN(C)C(=O)N(C)C.
What is the InChIKey of 1-(2-ethylsulfonylethyl)-1,3,3-trimethylurea?
The InChIKey is UOXRWMXCKRZTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-5-14(12,13)7-6-10(4)8(11)9(2)3/h5-7H2,1-4H3.
What are the key properties of 1-(2-ethylsulfonylethyl)-1,3,3-trimethylurea?
1-(2-ethylsulfonylethyl)-1,3,3-trimethylurea has a molecular weight of 222.31 g/mol, XLogP of 0.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonylethyl)-1,3,3-trimethylurea is sourced from PubChem (CID 171037364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).