1-cyclopentyl-3-[2-(methanesulfonamido)ethyl]urea

C9H19N3O3S — CID 38208934

IUPAC1-cyclopentyl-3-[2-(methanesulfonamido)ethyl]urea
SMILESCS(=O)(=O)NCCNC(=O)NC1CCCC1
InChIInChI=1S/C9H19N3O3S/c1-16(14,15)11-7-6-10-9(13)12-8-4-2-3-5-8/h8,11H,2-7H2,1H3,(H2,10,12,13)
InChIKeyRMZVSXYOGOELIY-UHFFFAOYSA-N
MW249.34 g/mol
LogP-0.22
Rot. Bonds5

About 1-cyclopentyl-3-[2-(methanesulfonamido)ethyl]urea

1-cyclopentyl-3-[2-(methanesulfonamido)ethyl]urea (PubChem CID 38208934) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(methanesulfonamido)ethyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(methanesulfonamido)ethyl]urea
PubChem CID38208934
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC Name1-cyclopentyl-3-[2-(methanesulfonamido)ethyl]urea
SMILESCS(=O)(=O)NCCNC(=O)NC1CCCC1
InChIInChI=1S/C9H19N3O3S/c1-16(14,15)11-7-6-10-9(13)12-8-4-2-3-5-8/h8,11H,2-7H2,1H3,(H2,10,12,13)
InChIKeyRMZVSXYOGOELIY-UHFFFAOYSA-N
XLogP-0.22
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-cyclopentyl-3-[2-(methanesulfonamido)ethyl]urea?
The IUPAC name of 1-cyclopentyl-3-[2-(methanesulfonamido)ethyl]urea (CID 38208934) is 1-cyclopentyl-3-[2-(methanesulfonamido)ethyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[2-(methanesulfonamido)ethyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[2-(methanesulfonamido)ethyl]urea is CS(=O)(=O)NCCNC(=O)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[2-(methanesulfonamido)ethyl]urea?
The InChIKey is RMZVSXYOGOELIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-16(14,15)11-7-6-10-9(13)12-8-4-2-3-5-8/h8,11H,2-7H2,1H3,(H2,10,12,13).
What are the key properties of 1-cyclopentyl-3-[2-(methanesulfonamido)ethyl]urea?
1-cyclopentyl-3-[2-(methanesulfonamido)ethyl]urea has a molecular weight of 249.34 g/mol, XLogP of -0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(methanesulfonamido)ethyl]urea is sourced from PubChem (CID 38208934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).