1,1-diethyl-3-[2-(methylsulfamoyl)ethyl]urea

C8H19N3O3S — CID 110292916

IUPAC1,1-diethyl-3-[2-(methylsulfamoyl)ethyl]urea
SMILESCCN(CC)C(=O)NCCS(=O)(=O)NC
InChIInChI=1S/C8H19N3O3S/c1-4-11(5-2)8(12)10-6-7-15(13,14)9-3/h9H,4-7H2,1-3H3,(H,10,12)
InChIKeyUGNSACTZJCEKTL-UHFFFAOYSA-N
MW237.32 g/mol
LogP-0.41
Rot. Bonds6

About 1,1-diethyl-3-[2-(methylsulfamoyl)ethyl]urea

1,1-diethyl-3-[2-(methylsulfamoyl)ethyl]urea (PubChem CID 110292916) has the molecular formula C8H19N3O3S and a molecular weight of 237.32 g/mol. Its IUPAC name is 1,1-diethyl-3-[2-(methylsulfamoyl)ethyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[2-(methylsulfamoyl)ethyl]urea
PubChem CID110292916
Molecular FormulaC8H19N3O3S
Molecular Weight237.32 g/mol
Exact Mass237.11
IUPAC Name1,1-diethyl-3-[2-(methylsulfamoyl)ethyl]urea
SMILESCCN(CC)C(=O)NCCS(=O)(=O)NC
InChIInChI=1S/C8H19N3O3S/c1-4-11(5-2)8(12)10-6-7-15(13,14)9-3/h9H,4-7H2,1-3H3,(H,10,12)
InChIKeyUGNSACTZJCEKTL-UHFFFAOYSA-N
XLogP-0.41
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-diethyl-3-(3,3,3-trifluoropropyl)urea
CID 115650872
2-(ethylamino)-N-[2-(methylsulfamoyl)ethyl]acetamide
CID 106336717
2-methyl-2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]propanamide
CID 106336691
N-[2-(methylsulfamoyl)ethyl]-2-(propylamino)acetamide
CID 106336906
N-[2-(diethylcarbamoylamino)ethyl]-2-ethylbutanamide
CID 108573873
1,1-diethyl-3-(3-hydroxybutyl)urea
CID 79161473
4-(diethylcarbamoylamino)butanoic acid
CID 28511499
ethyl 2-[2-(methylsulfamoyl)ethylcarbamoylamino]acetate
CID 102676292
3-amino-3-methyl-N-[2-(methylsulfamoyl)ethyl]butanamide
CID 106336943
(2R)-3,3-dimethyl-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid
CID 106340640
N'-(2-amino-2-sulfanylideneethyl)-N-[2-(methylsulfamoyl)ethyl]oxamide
CID 114175469
3-(diethylcarbamoylamino)-N-(2-methoxyethyl)propanamide
CID 113226661

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[2-(methylsulfamoyl)ethyl]urea?
The IUPAC name of 1,1-diethyl-3-[2-(methylsulfamoyl)ethyl]urea (CID 110292916) is 1,1-diethyl-3-[2-(methylsulfamoyl)ethyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[2-(methylsulfamoyl)ethyl]urea?
The canonical SMILES for 1,1-diethyl-3-[2-(methylsulfamoyl)ethyl]urea is CCN(CC)C(=O)NCCS(=O)(=O)NC.
What is the InChIKey of 1,1-diethyl-3-[2-(methylsulfamoyl)ethyl]urea?
The InChIKey is UGNSACTZJCEKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3S/c1-4-11(5-2)8(12)10-6-7-15(13,14)9-3/h9H,4-7H2,1-3H3,(H,10,12).
What are the key properties of 1,1-diethyl-3-[2-(methylsulfamoyl)ethyl]urea?
1,1-diethyl-3-[2-(methylsulfamoyl)ethyl]urea has a molecular weight of 237.32 g/mol, XLogP of -0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[2-(methylsulfamoyl)ethyl]urea is sourced from PubChem (CID 110292916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).