1-[2-(dimethylsulfamoyl)ethyl]-3-propylurea

C8H19N3O3S — CID 106335770

IUPAC1-[2-(dimethylsulfamoyl)ethyl]-3-propylurea
SMILESCCCNC(=O)NCCS(=O)(=O)N(C)C
InChIInChI=1S/C8H19N3O3S/c1-4-5-9-8(12)10-6-7-15(13,14)11(2)3/h4-7H2,1-3H3,(H2,9,10,12)
InChIKeyODRVBTBFYKBJCY-UHFFFAOYSA-N
MW237.32 g/mol
LogP-0.41
Rot. Bonds6

About 1-[2-(dimethylsulfamoyl)ethyl]-3-propylurea

1-[2-(dimethylsulfamoyl)ethyl]-3-propylurea (PubChem CID 106335770) has the molecular formula C8H19N3O3S and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-[2-(dimethylsulfamoyl)ethyl]-3-propylurea.

Molecular Properties

Compound Name1-[2-(dimethylsulfamoyl)ethyl]-3-propylurea
PubChem CID106335770
Molecular FormulaC8H19N3O3S
Molecular Weight237.32 g/mol
Exact Mass237.11
IUPAC Name1-[2-(dimethylsulfamoyl)ethyl]-3-propylurea
SMILESCCCNC(=O)NCCS(=O)(=O)N(C)C
InChIInChI=1S/C8H19N3O3S/c1-4-5-9-8(12)10-6-7-15(13,14)11(2)3/h4-7H2,1-3H3,(H2,9,10,12)
InChIKeyODRVBTBFYKBJCY-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

2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]butanoic acid
CID 106341409
3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-hydroxypropanoic acid
CID 106341404
2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]-3-methylbutanoic acid
CID 106341239
1-benzyl-3-[2-(dimethylsulfamoyl)ethyl]urea
CID 106335754
2-bromo-N-[2-(dimethylsulfamoyl)ethyl]acetamide
CID 106335493
(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]propanamide
CID 106337421
3-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-2-methylbutanoic acid
CID 114175825
4-[2-(dimethylsulfamoyl)ethylamino]-4-oxobutanoic acid
CID 106334792
2-[2-(dimethylsulfamoyl)ethylcarbamoylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 106341376
1-[2-(dimethylsulfamoyl)ethyl]-3-methylthiourea
CID 106335688
3-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-methylbutanamide
CID 106337551
2-bromo-N-[2-(dimethylsulfamoyl)ethyl]-3-methylbutanamide
CID 106335483

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylsulfamoyl)ethyl]-3-propylurea?
The IUPAC name of 1-[2-(dimethylsulfamoyl)ethyl]-3-propylurea (CID 106335770) is 1-[2-(dimethylsulfamoyl)ethyl]-3-propylurea.
What is the SMILES notation for 1-[2-(dimethylsulfamoyl)ethyl]-3-propylurea?
The canonical SMILES for 1-[2-(dimethylsulfamoyl)ethyl]-3-propylurea is CCCNC(=O)NCCS(=O)(=O)N(C)C.
What is the InChIKey of 1-[2-(dimethylsulfamoyl)ethyl]-3-propylurea?
The InChIKey is ODRVBTBFYKBJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3S/c1-4-5-9-8(12)10-6-7-15(13,14)11(2)3/h4-7H2,1-3H3,(H2,9,10,12).
What are the key properties of 1-[2-(dimethylsulfamoyl)ethyl]-3-propylurea?
1-[2-(dimethylsulfamoyl)ethyl]-3-propylurea 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-[2-(dimethylsulfamoyl)ethyl]-3-propylurea is sourced from PubChem (CID 106335770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).