1-cyclopentyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea

C12H25N3O3S — CID 47322289

IUPAC1-cyclopentyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea
SMILESCCN(CCCNC(=O)NC1CCCC1)S(C)(=O)=O
InChIInChI=1S/C12H25N3O3S/c1-3-15(19(2,17)18)10-6-9-13-12(16)14-11-7-4-5-8-11/h11H,3-10H2,1-2H3,(H2,13,14,16)
InChIKeyHUYPBOXIOVOWKA-UHFFFAOYSA-N
MW291.42 g/mol
LogP0.90
Rot. Bonds7

About 1-cyclopentyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea

1-cyclopentyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea (PubChem CID 47322289) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-cyclopentyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea
PubChem CID47322289
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC Name1-cyclopentyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea
SMILESCCN(CCCNC(=O)NC1CCCC1)S(C)(=O)=O
InChIInChI=1S/C12H25N3O3S/c1-3-15(19(2,17)18)10-6-9-13-12(16)14-11-7-4-5-8-11/h11H,3-10H2,1-2H3,(H2,13,14,16)
InChIKeyHUYPBOXIOVOWKA-UHFFFAOYSA-N
XLogP0.90
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 50.90
H-Bond Donors ≤ 52
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-[3-[ethyl(methylsulfonyl)amino]propyl]urea?
The IUPAC name of 1-cyclopentyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea (CID 47322289) is 1-cyclopentyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea is CCN(CCCNC(=O)NC1CCCC1)S(C)(=O)=O.
What is the InChIKey of 1-cyclopentyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea?
The InChIKey is HUYPBOXIOVOWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-3-15(19(2,17)18)10-6-9-13-12(16)14-11-7-4-5-8-11/h11H,3-10H2,1-2H3,(H2,13,14,16).
What are the key properties of 1-cyclopentyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea?
1-cyclopentyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea has a molecular weight of 291.42 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[3-[ethyl(methylsulfonyl)amino]propyl]urea is sourced from PubChem (CID 47322289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).