1-[2-(2-aminoethoxy)ethyl]-3-(2-methylsulfonylethyl)urea

C8H19N3O4S — CID 142391829

IUPAC1-[2-(2-aminoethoxy)ethyl]-3-(2-methylsulfonylethyl)urea
SMILESCS(=O)(=O)CCNC(=O)NCCOCCN
InChIInChI=1S/C8H19N3O4S/c1-16(13,14)7-4-11-8(12)10-3-6-15-5-2-9/h2-7,9H2,1H3,(H2,10,11,12)
InChIKeyUKBRULUXCXCRDQ-UHFFFAOYSA-N
MW253.32 g/mol
LogP-1.69
Rot. Bonds8

About 1-[2-(2-aminoethoxy)ethyl]-3-(2-methylsulfonylethyl)urea

1-[2-(2-aminoethoxy)ethyl]-3-(2-methylsulfonylethyl)urea (PubChem CID 142391829) has the molecular formula C8H19N3O4S and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-[2-(2-aminoethoxy)ethyl]-3-(2-methylsulfonylethyl)urea.

Molecular Properties

Compound Name1-[2-(2-aminoethoxy)ethyl]-3-(2-methylsulfonylethyl)urea
PubChem CID142391829
Molecular FormulaC8H19N3O4S
Molecular Weight253.32 g/mol
Exact Mass253.11
IUPAC Name1-[2-(2-aminoethoxy)ethyl]-3-(2-methylsulfonylethyl)urea
SMILESCS(=O)(=O)CCNC(=O)NCCOCCN
InChIInChI=1S/C8H19N3O4S/c1-16(13,14)7-4-11-8(12)10-3-6-15-5-2-9/h2-7,9H2,1H3,(H2,10,11,12)
InChIKeyUKBRULUXCXCRDQ-UHFFFAOYSA-N
XLogP-1.69
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 5-1.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethoxy)ethyl]-3-(2-methylsulfonylethyl)urea?
The IUPAC name of 1-[2-(2-aminoethoxy)ethyl]-3-(2-methylsulfonylethyl)urea (CID 142391829) is 1-[2-(2-aminoethoxy)ethyl]-3-(2-methylsulfonylethyl)urea.
What is the SMILES notation for 1-[2-(2-aminoethoxy)ethyl]-3-(2-methylsulfonylethyl)urea?
The canonical SMILES for 1-[2-(2-aminoethoxy)ethyl]-3-(2-methylsulfonylethyl)urea is CS(=O)(=O)CCNC(=O)NCCOCCN.
What is the InChIKey of 1-[2-(2-aminoethoxy)ethyl]-3-(2-methylsulfonylethyl)urea?
The InChIKey is UKBRULUXCXCRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O4S/c1-16(13,14)7-4-11-8(12)10-3-6-15-5-2-9/h2-7,9H2,1H3,(H2,10,11,12).
What are the key properties of 1-[2-(2-aminoethoxy)ethyl]-3-(2-methylsulfonylethyl)urea?
1-[2-(2-aminoethoxy)ethyl]-3-(2-methylsulfonylethyl)urea has a molecular weight of 253.32 g/mol, XLogP of -1.69, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethoxy)ethyl]-3-(2-methylsulfonylethyl)urea is sourced from PubChem (CID 142391829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).